Table of contents for issues of Journal of Mathematical Chemistry

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Volume 1, Number 1, March, 1987
Volume 1, Number 2, July, 1987
Volume 1, Number 3, September, 1987
Volume 1, Number 4, November, 1987
Volume 2, Number 1, February, 1988
Volume 2, Number 2, April, 1988
Volume 2, Number 3, July, 1988
Volume 2, Number 4, October, 1988
Volume 3, Number 1, January, 1989
Volume 3, Number 2, April, 1989
Volume 3, Number 3, July, 1989
Volume 3, Number 4, December, 1989
Volume 4, Number 1, December, 1990
Volume 5, Number 1, March, 1990
Volume 5, Number 2, June, 1990
Volume 5, Number 3, September, 1990
Volume 5, Number 4, December, 1990
Volume 6, Number 1, December, 1991
Volume 7, Number 1, December, 1991
Volume 8, Number 1, December, 1991
Volume 9, Number 1, March, 1992
Volume 9, Number 2, June, 1992
Volume 9, Number 3, September, 1992
Volume 9, Number 4, December, 1992
Volume 10, Number 1, December, 1992
Volume 11, Number 1, December, 1992
Volume 12, Number 1, December, 1993
Volume 13, Number 1, December, 1993
Volume 14, Number 1, December, 1993
Volume 15, Number 1, December, 1994
Volume 16, Number 1, December, 1994
Volume 17, Number 1, February, 1995
Volume 17, Number 2, June, 1995
Volume 17, Number 3, October, 1995
Volume 18, Number 1, March, 1995
Volume 18, Number 2, September, 1995
Volume 19, Number 1, October, 1996
Volume 19, Number 2, June, 1996
Volume 19, Number 3, September, 1996
Volume 20, Number 1, March, 1996
Volume 20, Number 2, September, 1996
Volume 21, Number 1, June, 1997
Volume 21, Number 2, July, 1997
Volume 21, Number 3, October, 1997
Volume 21, Number 4, December, 1997
Volume 22, Number 1, December, 1997
Volume 22, Number 2--4, December, 1997
Volume 23, Number 1--2, April, 1998
Volume 23, Number 3--4, June, 1998
Volume 24, Number 1--3, August, 1998
Volume 24, Number 4, December, 1998
Volume 25, Number 1, March, 1999
Volume 25, Number 2--3, June, 1999
Volume 25, Number 4, September, 1999
Volume 26, Number 1--3, October, 1999
Volume 26, Number 4, December, 1999
Volume 27, Number 1--2, October, 2000
Volume 27, Number 3, November, 2000
Volume 27, Number 4, December, 2000
Volume 28, Number 1--3, December, 2000
Volume 28, Number 4, December, 2000
Volume 29, Number 1, January, 2001
Volume 29, Number 2, February, 2001
Volume 29, Number 3, April, 2001
Volume 29, Number 4, May, 2001
Volume 30, Number 1, July, 2001
Volume 30, Number 2, August, 2001
Volume 30, Number 3, October, 2001
Volume 30, Number 4, November, 2001
Volume 31, Number 1, January, 2002
Volume 31, Number 2, February, 2002
Volume 31, Number 3, April, 2002
Volume 31, Number 4, May, 2002
Volume 32, Number 1, July, 2002
Volume 32, Number 2, August, 2002
Volume 32, Number 3, October, 2002
Volume 32, Number 4, November, 2002
Volume 33, Number 1, January, 2003
Volume 33, Number 2, February, 2003
Volume 33, Number 3--4, May, 2003
Volume 34, Number 1--2, July, 2003
Volume 34, Number 3--4, November, 2003
Volume 35, Number 1, January, 2004
Volume 35, Number 2, February, 2004
Volume 35, Number 3, March, 2004
Volume 35, Number 4, April, 2004
Volume 36, Number 1, May, 2004
Volume 36, Number 2, June, 2004
Volume 36, Number 3, July, 2004
Volume 36, Number 4, August, 2004
Volume 37, Number 1, January, 2005
Volume 37, Number 2, January, 2005
Volume 37, Number 3, April, 2005
Volume 37, Number 4, May, 2005
Volume 38, Number 1, July, 2005
Volume 38, Number 2, August, 2005
Volume 38, Number 3, October, 2005
Volume 38, Number 4, November, 2005
Volume 39, Number 1, January, 2006
Volume 39, Number 2, February, 2006
Volume 39, Number 3--4, May, 2006
Volume 40, Number 1, July, 2006
Volume 40, Number 2, August, 2006
Volume 40, Number 3, October, 2006
Volume 40, Number 4, November, 2006
Volume 41, Number 1, January, 2007
Volume 41, Number 2, February, 2007
Volume 41, Number 3, April, 2007
Volume 41, Number 4, May, 2007
Volume 42, Number 1, July, 2007
Volume 42, Number 2, August, 2007
Volume 42, Number 3, October, 2007
Volume 42, Number 4, November, 2007
Volume 43, Number 1, January, 2008
Volume 43, Number 2, February, 2008
Volume 43, Number 3, March, 2008
Volume 43, Number 4, May, 2008
Volume 44, Number 1, July, 2008
Volume 44, Number 2, August, 2008
Volume 44, Number 3, October, 2008
Volume 44, Number 4, November, 2008
Volume 45, Number 1, January, 2009
Volume 45, Number 2, February, 2009
Volume 45, Number 3, March, 2009
Volume 45, Number 4, April, 2009
Volume 46, Number 1, June, 2009
Volume 46, Number 2, August, 2009
Volume 46, Number 3, October, 2009
Volume 46, Number 4, November, 2009
Volume 47, Number 1, January, 2010
Volume 47, Number 2, February, 2010
Volume 47, Number 3, April, 2010
Volume 47, Number 4, May, 2010
Volume 48, Number 1, July, 2010
Volume 48, Number 2, August, 2010
Volume 48, Number 3, October, 2010
Volume 48, Number 4, November, 2010
Volume 49, Number 1, January, 2011
Volume 49, Number 2, February, 2011
Volume 49, Number 3, March, 2011
Volume 49, Number 4, April, 2011
Volume 49, Number 5, May, 2011
Volume 49, Number 6, June, 2011
Volume 49, Number 7, August, 2011
Volume 49, Number 8, September, 2011
Volume 49, Number 9, October, 2011
Volume 49, Number 10, November, 2011
Volume 50, Number 1, January, 2012
Volume 50, Number 2, February, 2012
Volume 50, Number 3, March, 2012
Volume 50, Number 4, April, 2012
Volume 50, Number 5, May, 2012
Volume 50, Number 6, June, 2012
Volume 50, Number 7, August, 2012
Volume 50, Number 8, September, 2012
Volume 50, Number 9, October, 2012
Volume 50, Number 10, November, 2012
Volume 51, Number 1, January, 2013
Volume 51, Number 2, February, 2013
Volume 51, Number 3, March, 2013
Volume 51, Number 4, April, 2013
Volume 51, Number 5, May, 2013
Volume 51, Number 6, June, 2013
Volume 51, Number 7, August, 2013
Volume 51, Number 8, September, 2013
Volume 51, Number 9, October, 2013
Volume 51, Number 10, November, 2013
Volume 52, Number 1, January, 2014
Volume 52, Number 2, February, 2014
Volume 52, Number 3, March, 2014
Volume 52, Number 4, April, 2014
Volume 52, Number 5, May, 2014
Volume 52, Number 6, June, 2014
Volume 52, Number 7, August, 2014
Volume 52, Number 8, September, 2014
Volume 52, Number 9, October, 2014
Volume 52, Number 10, November, 2014
Volume 53, Number 1, January, 2015
Volume 53, Number 2, February, 2015
Volume 53, Number 3, March, 2015
Volume 53, Number 4, April, 2015
Volume 53, Number 5, May, 2015
Volume 53, Number 6, June, 2015
Volume 53, Number 7, August, 2015
Volume 53, Number 8, September, 2015
Volume 53, Number 9, October, 2015
Volume 53, Number 10, November, 2015
Volume 54, Number 1, January, 2016
Volume 54, Number 2, February, 2016
Volume 54, Number 3, March, 2016
Volume 54, Number 4, April, 2016
Volume 54, Number 5, May, 2016
Volume 54, Number 6, June, 2016
Volume 54, Number 7, August, 2016
Volume 54, Number 8, September, 2016
Volume 54, Number 9, October, 2016
Volume 54, Number 10, November, 2016
Volume 55, Number 1, January, 2017
Volume 55, Number 2, February, 2017
Volume 55, Number 3, March, 2017
Volume 55, Number 4, April, 2017
Volume 55, Number 5, May, 2017
Volume 55, Number 6, June, 2017
Volume 55, Number 7, August, 2017
Volume 55, Number 8, September, 2017
Volume 55, Number 9, October, 2017
Volume 55, Number 10, November, 2017
Volume 56, Number 1, January, 2018
Volume 56, Number 2, February, 2018
Volume 56, Number 3, March, 2018
Volume 56, Number 4, April, 2018
Volume 56, Number 5, May, 2018
Volume 56, Number 6, June, 2018
Volume 56, Number 7, August, 2018
Volume 56, Number 8, September, 2018
Volume 56, Number 9, October, 2018
Volume 56, Number 10, November, 2018
Volume 57, Number 1, January, 2019
Volume 57, Number 2, February, 2019
Volume 57, Number 3, March, 2019
Volume 57, Number 4, April, 2019
Volume 57, Number 5, May, 2019
Volume 57, Number 6, June, 2019
Volume 57, Number 7, August, 2019
Volume 57, Number 8, September, 2019
Volume 57, Number 9, October, 2019
Volume 57, Number 10, November, 2019
Volume 58, Number 1, January, 2020
Volume 58, Number 2, February, 2020
Volume 58, Number 3, March, 2020
Volume 58, Number 4, April, 2020
Volume 58, Number 5, May, 2020
Volume 58, Number 6, June, 2020
Volume 58, Number 7, August, 2020
Volume 58, Number 8, September, 2020
Volume 58, Number 9, October, 2020
Volume 58, Number 10, November, 2020
Volume 59, Number 1, January, 2021
Volume 59, Number 2, February, 2021
Volume 59, Number 3, March, 2021
Volume 59, Number 4, April, 2021
Volume 59, Number 5, May, 2021
Volume 59, Number 6, June, 2021
Volume 59, Number 7, August, 2021
Volume 59, Number 8, September, 2021
Volume 59, Number 9, October, 2021
Volume 59, Number 10, November, 2021
Volume 60, Number 1, January, 2022
Volume 60, Number 2, February, 2022
Volume 60, Number 3, March, 2022
Volume 60, Number 4, April, 2022
Volume 60, Number 5, May, 2022
Volume 60, Number 6, June, 2022
Volume 60, Number 7, August, 2022
Volume 60, Number 8, September, 2022
Volume 60, Number 9, October, 2022
Volume 60, Number 10, November, 2022
Volume 61, Number 1, January, 2023
Volume 61, Number 2, February, 2023
Volume 61, Number 3, March, 2023
Volume 61, Number 4, April, 2023
Volume 61, Number 5, May, 2023
Volume 61, Number 6, July, 2023
Volume 61, Number 7, August, 2023
Volume 61, Number 8, September, 2023
Volume 61, Number 9, October, 2023
Volume 61, Number 10, November, 2023
Volume 62, Number 1, January, 2024
Volume 62, Number 2, February, 2024
Volume 62, Number 3, March, 2024


Journal of Mathematical Chemistry
Volume 1, Number 1, March, 1987

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . iii--iv
                      Anonymous   Letters of welcome . . . . . . . . . . . v--vii
                  D. W. Sumners   The knot theory of molecules . . . . . . 1--14
                     R. B. King   Chemical applications of topology and
                                  group theory. XXI: Chirality in
                                  transitive skeletons and qualitative
                                  completeness [1] . . . . . . . . . . . . 15--44
                     R. B. King   Chemical applications of topology and
                                  group theory. XXII: Lowest degree
                                  chirality polynomials for regular
                                  polyhedra [1]  . . . . . . . . . . . . . 45--59
                P. A. Filip and   
              T.-S. Balaban and   
                  A. T. Balaban   A new approach for devising local graph
                                  invariants: Derived topological indices
                                  with low degeneracy and good correlation
                                  ability  . . . . . . . . . . . . . . . . 61--83
                    P. Otto and   
                   J. Ladik and   
                    P. G. Mezey   A convexity relation for the energies of
                                  certain polymers of unit cells of
                                  different sizes  . . . . . . . . . . . . 85--96
                 Milan Randi\'c   On the evaluation of the characteristic
                                  polynomial via symmetric function theory 145--152

Journal of Mathematical Chemistry
Volume 1, Number 2, July, 1987

                Sherif El-Basil   Applications of caterpillar trees in
                                  chemistry and physics  . . . . . . . . . 153--174
                    E. C. Kirby   The factorisation of chemical graphs and
                                  their polynomials: A systematic study of
                                  certain trees  . . . . . . . . . . . . . 175--218
            K. R. Schneider and   
                  B. Wegner and   
                 J. Tóth   Qualitative analysis of a model for
                                  synaptic slow waves  . . . . . . . . . . 219--234
         R. Birnbaum Edward and   
               A. Walker Elbert   A mathematical analysis of the Bjerrum
                                  function for the stepwise equilibrium
                                  model  . . . . . . . . . . . . . . . . . 235--247

Journal of Mathematical Chemistry
Volume 1, Number 3, September, 1987

                  R. Bruce King   The dimensionality and topology of
                                  chemical bonding manifolds in metal
                                  clusters and related compounds . . . . . 249--265
Francisco M. Fernández and   
          Gustavo A. Arteca and   
              Eduardo A. Castro   Critical parameters from power series
                                  expansions . . . . . . . . . . . . . . . 267--280
                S. El-Basil and   
                    M. Randi\'c   On global and local properties of Clar
                                  Pi-Electron sextets  . . . . . . . . . . 281--307
                D. J. Klein and   
           T. P. Zivkovi\'c and   
                N. Trinajsti\'c   Resonance in random $ \pi $-network
                                  polymers . . . . . . . . . . . . . . . . 309--334

Journal of Mathematical Chemistry
Volume 1, Number 4, November, 1987

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . i--i
              Brian O'Leary and   
                  R. B. Mallion   Walsh diagrams and the Hellmann--Feynman
                                  theorem: A tribute to the late Professor
                                  Charles A. Coulson, F.R.S. (1910--1974)  335--344
                 D. Bonchev and   
                D. Kamenski and   
                   O. N. Temkin   Complexity index for the linear
                                  mechanisms of chemical reactions . . . . 345--388
            Harold M. Scholberg   An examination of the basic postulates
                                  of surface chemistry: A variational
                                  calculus analysis of the classic
                                  rotating drop experiment . . . . . . . . 389--403
               D. M. Berman and   
                 K. W. Holladay   Homomorphism polynomials of chemical
                                  graphs . . . . . . . . . . . . . . . . . 405--414
                  R. Bruce King   Chemical applications of topology and
                                  group Theory. XXIV: Chiralization of
                                  chemically significant polyhedra [1] . . 415--421


Journal of Mathematical Chemistry
Volume 2, Number 1, February, 1988

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . vii--vii
                    S. El-Basil   Theory and computational applications of
                                  Fibonacci graphs . . . . . . . . . . . . 1--29
               I. P. Bangov and   
                    K. D. Kanev   Computer-assisted structure generation
                                  from a gross formula: II. Multiple bond
                                  unsaturated and cyclic compounds.
                                  Employment of fragments  . . . . . . . . 31--48
            R. B. Mcquistan and   
                     J. L. Hock   The shift operator matrix method applied
                                  to the two-dimensional nearest and next
                                  nearest neighbor problem . . . . . . . . 49--68
             K. Balasubramanian   Tree pruning and lattice statistics on
                                  Bethe lattices . . . . . . . . . . . . . 69--82
                    E. C. Kirby   A note on some coefficients of the
                                  Chebyshev polynomial form of the
                                  characteristic polynomial  . . . . . . . 83--87

Journal of Mathematical Chemistry
Volume 2, Number 2, April, 1988

                  R. Bruce King   Chirality polynomials  . . . . . . . . . 89--115
                Oktay Sinanoglu   The new pictorial structural covariance
                                  method for qualitative quantum
                                  chemistry. II: Arenes with or without
                                  polyene side chains and polyene bridges  117--136
                Oktay Sinanoglu   The new pictorial structural covariance
                                  method for qualitative quantum
                                  chemistry. III: Fused polycyclics and
                                  their ions . . . . . . . . . . . . . . . 137--154
              W. C. Herndon and   
                    A. J. Bruce   Linear notation for benzenoid aromatic
                                  hydrocarbons. Molecular similarity based
                                  on notation similarity . . . . . . . . . 155--169
            D. C. Mikulecky and   
                       F. Sauer   The role of the reference state in
                                  nonlinear kinetic models: Network
                                  thermodynamics leads to a linear and
                                  reciprocal coordinate system far from
                                  equilibrium  . . . . . . . . . . . . . . 171--196

Journal of Mathematical Chemistry
Volume 2, Number 3, July, 1988

             Nenad Trinajsti\'c   The characteristic polynomial of a
                                  chemical graph . . . . . . . . . . . . . 197--215
        J. L. C. Villaveces and   
            C. G. A. Arteca and   
     F. M. Fernández and   
                   E. A. Castro   Approximate polynomial expressions for
                                  Rydberg--Klein--Rees curves of diatomic
                                  covalent molecules . . . . . . . . . . . 217--226
          Gustavo A. Arteca and   
Francisco M. Fernández and   
              Eduardo A. Castro   New method for confluent singularity
                                  analysis of power series . . . . . . . . 227--239
               F. Battaglia and   
                      F. George   A Pascal type triangle for the number of
                                  topologically distinct many-electron
                                  Feynman graphs . . . . . . . . . . . . . 241--247
                M. Randi\'c and   
                       B. Baker   Isospectral multitrees . . . . . . . . . 249--265
                Bojan Mohar and   
                 Tomaz Pisanski   How to compute the Wiener index of a
                                  graph  . . . . . . . . . . . . . . . . . 267--277
              Asok K. Mukherjee   Eigenvalues of large even annulenes in
                                  terms of $ K_3 $, $ S_4 $ and $ S_5 $    279--286
                 O. Bodroza and   
                  I. Gutman and   
                S. J. Cyvin and   
                     R. Tosi\'c   Number of Kekulé structures of
                                  hexagon-shaped benzenoids  . . . . . . . 287--298

Journal of Mathematical Chemistry
Volume 2, Number 4, October, 1988

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . i--i
                  Paul G. Mezey   Shape group studies of molecular
                                  similarity: Shape groups and shape
                                  graphs of molecular contour surfaces . . 299--323
                  Paul G. Mezey   Global and local relative convexity and
                                  oriented relative convexity; application
                                  to molecular shapes in external fields   325--346
            Ovanes Mekenyan and   
             Danail Bonchev and   
              Alexandru Balaban   Topological indices for molecular
                                  fragments and new graph invariants . . . 347--375
               Frank Harary and   
                   Pad G. Mezey   Graphical shapes: Seeing graphs of
                                  chemical curves and molecular surfaces   377--389
        T. P. Radhakrishnan and   
                  W. C. Herndon   Molar volumes of alkanes and topological
                                  indices  . . . . . . . . . . . . . . . . 391--399
                 T. Turanyi and   
                  T. Berces and   
                 J. Tóth   The method of quasi-stationary
                                  sensitivity analysis . . . . . . . . . . 401--409


Journal of Mathematical Chemistry
Volume 3, Number 1, January, 1989

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . vi--vi
            Sherif El-Basil and   
               Douglas J. Klein   Fibonacci numbers in the topological
                                  theory of benzenoid hydrocarbons and
                                  related graphs . . . . . . . . . . . . . 1--23
            Stefan Schuster and   
                 Ronny Schuster   A generalization of Wegscheider's
                                  condition. Implications for properties
                                  of steady states and for
                                  quasi-steady-state approximation . . . . 25--42
          Gustavo A. Arteca and   
                  Paul G. Mezey   Shape group theory of van der Waals
                                  surfaces . . . . . . . . . . . . . . . . 43--71
                  Jaroslav Koca   A mathematical model of realistic
                                  constitutional chemistry. A synthon
                                  approach. I: An algebraic model of a
                                  synthon  . . . . . . . . . . . . . . . . 73--89
                  Jaroslav Koca   A mathematical model of realistic
                                  constitutional chemistry. A synthon
                                  approach. II: The model and organic
                                  synthesis  . . . . . . . . . . . . . . . 91--115

Journal of Mathematical Chemistry
Volume 3, Number 2, April, 1989

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . i--i
                  M. A. Johnson   A review and examination of the
                                  mathematical spaces underlying molecular
                                  similarity analysis  . . . . . . . . . . 117--145
             K. Balasubramanian   Characteristic polynomials of
                                  spirographs  . . . . . . . . . . . . . . 147--159
              V. Kvasni\vck and   
         A. J. Pospíchal   Two metrics for a graph-theoretical
                                  model of organic chemistry . . . . . . . 161--191
             R. D. Poshusta and   
                 M. C. McHughes   Embedding frequencies of trees . . . . . 193--215
            A. K. Das Gupta and   
                       C. Dutta   Symmetry and other properties of
                                  second-order phenomenological
                                  coefficients and their significance in a
                                  chemical system  . . . . . . . . . . . . 217--226
             K. Balasubramanian   Reduced cycle indices and their
                                  applications in enumeration of NMR
                                  signals and equivalence classes  . . . . 227--232

Journal of Mathematical Chemistry
Volume 3, Number 3, July, 1989

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . i--i
                 G. G. Hall and   
                     J. R. Dias   The recognition of polyrex hydrocarbon
                                  radicals . . . . . . . . . . . . . . . . 233--242
              C. E. Wulfman and   
                      H. Rabitz   Global sensitivity analysis of nonlinear
                                  chemical kinetic equations using Lie
                                  groups: I. Determination of
                                  one-parameter groups . . . . . . . . . . 243--259
              C. E. Wulfman and   
                      H. Rabitz   Global sensitivity analysis of nonlinear
                                  chemical kinetic equations using Lie
                                  groups: II. Some chemical and
                                  mathematical properties of the
                                  transformation groups  . . . . . . . . . 261--297
                B. Bogdanov and   
               S. Nikoli\'c and   
                N. Trinajsti\'c   On the three-dimensional Wiener number   299--309
                    C. Tosi and   
                   R. Fusco and   
             L. Caccianotti and   
                      V. Parisi   On the investigation of the low-energy
                                  conformational space of molecules  . . . 311--320
                    P. G. Mezey   Open problems in mathematical chemistry  321--321

Journal of Mathematical Chemistry
Volume 3, Number 4, December, 1989

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . i--ii
              Brian O'Leary and   
                  R. B. Mallion   C. A. Coulson's work on a
                                  contour-integral approach to the London
                                  theory of magnetic susceptibility of
                                  conjugated molecules . . . . . . . . . . 323--342
                      I. Gutman   Factors determining the direction of the
                                  stereoselection process in the
                                  generalized Frank model  . . . . . . . . 343--355
                   Y. Jiang and   
                       H. Zhang   Moments and characteristic polynomials
                                  of bipartite Hückel graphs  . . . . . . . 357--375
                 K. Sakurai and   
                   K. Nishimoto   Propagator representation for partial
                                  structure character in conjugated
                                  systems  . . . . . . . . . . . . . . . . 377--382
            Hideyuki Narumi and   
                   Haruo Hosoya   Proof of the generalized expressions for
                                  the number of perfect matchings of
                                  polycube graphs  . . . . . . . . . . . . 383--391
                 R. Tosi\'c and   
                    S. J. Cyvin   Enumeration of Kekulé structures in
                                  benzenoid hydrocarbons: ``flounders''    393--401
                    Bojan Mohar   Computing the characteristic polynomial
                                  of a tree  . . . . . . . . . . . . . . . 403--406
                    P. G. Mezey   Open problems in mathematical chemistry  407--407


Journal of Mathematical Chemistry
Volume 4, Number 1, December, 1990

              Dennis H. Rouvray   Editorial foreword . . . . . . . . . . . vii--viii
           Per-Olov Löwdin   Mathematics in Chemistry and in
                                  Mathematical Chemistry . . . . . . . . . 3--14
                 Jerry Ray Dias   A formula periodic table for benzenoid
                                  hydrocarbons and the Aufbau and excised
                                  internal structure concepts in benzenoid
                                  enumerations . . . . . . . . . . . . . . 17--29
                    E. C. Kirby   Hamiltonian paths in polyhexes: The use
                                  of branching subgraphs to assist
                                  diagnosis of graph traceability  . . . . 31--46
                S. J. Cyvin and   
                J. Brunvoll and   
                    B. N. Cyvin   The hunt for concealed non--Kekuléan
                                  polyhexes  . . . . . . . . . . . . . . . 47--54
                 Seymour B. Elk   A canonical ordering of polybenzenes and
                                  polymantanes using a prime number
                                  factorization technique  . . . . . . . . 55--68
                     R. B. King   Three-dimensional aromaticity: A
                                  topological analysis of computational
                                  methods  . . . . . . . . . . . . . . . . 69--85
             K. Balasubramanian   Recent developments in tree-pruning
                                  methods and polynomials for cactus
                                  graphs and trees . . . . . . . . . . . . 89--102
            Yuansheng Jiang and   
                  Guangyao Chen   On subspectral acyclic molecular graphs  103--115
              M. L. Ellzey, Jr.   Eigenvalue correlation diagrams for
                                  effective Hamiltonians: The ESR spectrum
                                  of axial Gd(III) . . . . . . . . . . . . 117--126
                 Jerry Ray Dias   A theoretical study of $ \pi
                                  $-hydrocarbon-iron tricarbonyl complexes 127--142
               T. P. Zivkovi\'c   Solution of the perturbed eigenvalue
                                  equation by the low-rank perturbation
                                  method . . . . . . . . . . . . . . . . . 143--153
                 Milan Randi\'c   The nature of chemical structure . . . . 157--184
           Subhash C. Basak and   
            Gerald J. Niemi and   
                Gilman D. Veith   Optimal characterization of structure
                                  for prediction of properties . . . . . . 185--205
                O. Mekenyan and   
            S. Karabunarlev and   
                     D. Bonchev   The OASIS concept for predicting the
                                  biological activity of chemical
                                  compounds  . . . . . . . . . . . . . . . 207--215
        Borka Jerman-Blazic and   
                 Milan Randi\'c   Similarity measures for sets of strings
                                  and application in chemical
                                  classification . . . . . . . . . . . . . 217--225
           Mary C. McHughes and   
                 R. D. Poshusta   Graph-theoretic cluster expansions.
                                  Thermochemical properties for alkanes    227--249
                   F. A. Matsen   The freeon $N$-electron procedure and
                                  the Hubbard connection . . . . . . . . . 253--269
                    N. H. March   Strongly correlated electronic ground
                                  states in metals near the
                                  metal-insulator transition . . . . . . . 271--293
                Xiangzhu Li and   
                   Josef Paldus   Unitary group tensor operator algebras
                                  for many-electron systems: I.
                                  Clebsch--Gordan and Racah coefficients   295--353
            Sonja Nikoli\'c and   
         Nenad Trinajsti\'c and   
                Jan V. Knop and   
    Wolfgang R. Müller and   
                Klaus Szymanski   On the concept of the weighted spanning
                                  tree of dualist  . . . . . . . . . . . . 357--375
                  Paul G. Mezey   Point symmetry groups of all distorted
                                  configurations of a molecule form a
                                  lattice  . . . . . . . . . . . . . . . . 377--381
            Jerry A. Darsey and   
               Wayne L. Mattice   A harmonic oscillator model of the
                                  conformationally flexible helical
                                  polymeric molecules  . . . . . . . . . . 383--394
              Michael E. Fisher   The statistical mechanics of
                                  two-dimensional vesicles . . . . . . . . 395--399
           Per-Olov Löwdin   Concepts of Convergence in Mathematical
                                  Chemistry  . . . . . . . . . . . . . . . 401--414


Journal of Mathematical Chemistry
Volume 5, Number 1, March, 1990

              R. B. Mallion and   
                  D. H. Rouvray   The golden jubilee of the
                                  Coulson--Rushbrooke pairing theorem  . . 1--21
                  Noriko Ohkami   Graph-theoretical analysis of the sextet
                                  polynomial. Proof of the correspondence
                                  between the sextet patterns and Kekulé
                                  patterns . . . . . . . . . . . . . . . . 23--42
                 D. Bonchev and   
                V. Kamenska and   
                    O. Mekenyan   Comparability graphs and molecular
                                  properties: IV. Generalizations and
                                  applications . . . . . . . . . . . . . . 43--72
                   Chen Zhixing   Free-electron theory of substituent
                                  effects on molecular orbital
                                  coefficients . . . . . . . . . . . . . . 73--79
                Ivan Gutman and   
             Noriyuki Mizoguchi   A property of the circuit characteristic
                                  polynomial . . . . . . . . . . . . . . . 81--82

Journal of Mathematical Chemistry
Volume 5, Number 2, June, 1990

                  M. Howard Lee   Fermionic chemical potential . . . . . . 83--98
                Shinsaku Fujita   Enumerations of chemical structures by
                                  subduction of coset representations.
                                  Correlation of unit subduced cycle
                                  indices to Pólya's cycle indices  . . . . 99--120
                Shinsaku Fujita   Subduction of coset representations. An
                                  application to enumeration of chemical
                                  structures with achiral and chiral
                                  ligands  . . . . . . . . . . . . . . . . 121--156
               Guo Xiaofeng and   
                     Zhang Fuji   Recognizing Kekuléan benzenoid systems by
                                  C--P--V path elimination . . . . . . . . 157--170
             Nenad Trinajsti\'c   On the classification of polyhex
                                  hydrocarbons . . . . . . . . . . . . . . 171--175
        D. A. Estrín and   
     F. M. Fernández and   
                   E. A. Castro   Potential energy curves of diatomic
                                  molecules from the Hill determinant
                                  method . . . . . . . . . . . . . . . . . 177--185
               Anil A. Bhalekar   On the generalized phenomenological
                                  irreversible thermodynamic theory
                                  (GPITT)  . . . . . . . . . . . . . . . . 187--196
                Roger H. Hering   Oscillations in Lotka--Volterra systems
                                  of chemical reactions  . . . . . . . . . 197--202

Journal of Mathematical Chemistry
Volume 5, Number 3, September, 1990

    Tamás Turányi   Sensitivity analysis of complex kinetic
                                  systems. Tools and applications  . . . . 203--248
             G. R. Hamilton and   
              W. G. Laidlaw and   
                   R. Maier and   
              R. B. Flewwelling   The effect of inhomogeneities on
                                  evaluation of a fractal dimension for
                                  objects on a lattice . . . . . . . . . . 249--263
               Fred Gornick and   
            Richard W. Freedman   Reactions of adjacent substituents on
                                  polymer chains: Combinatorial
                                  consequences of the mechanism  . . . . . 265--274
               John P. Lowe and   
               Matthew W. Davis   Isospectral points and edges in graph
                                  theory . . . . . . . . . . . . . . . . . 275--285
                Xun-Cheng Huang   Limit cycles in a continuous
                                  fermentation model . . . . . . . . . . . 287--296
            Giuseppe Del Re and   
          Christoph-M. Liegener   Second-order expression of Born
                                  probabilities by partitioning and
                                  Laplace transform methods  . . . . . . . 297--304
                B. Bogdanov and   
               S. Nikoli\'c and   
                N. Trinajsti\'c   On the three-dimensional Wiener number.
                                  A comment  . . . . . . . . . . . . . . . 305--306
       Christine E. Soteros and   
          Stuart G. Whittington   Some properties of the numbers of
                                  lattice animals and lattice trees  . . . 307--308

Journal of Mathematical Chemistry
Volume 5, Number 4, December, 1990

             V. Kvasni\vcka and   
            J. Pospíchal   Graph-theoretical interpretation of
                                  Ugi's concept of the reaction network    309--322
              R. S. Manning and   
                     N. De Leon   Theory of projected probabilities on
                                  non-orthogonal states: Application to
                                  electronic populations in molecules  . . 323--357
         Benjamin M. Gimarc and   
                    Jane J. Ott   Details of the reaction graphs for
                                  intramolecular isomerizations of the
                                  carboranes . . . . . . . . . . . . . . . 359--380
            T. P. Radhakrishnan   Euler's formula and phase rule . . . . . 381--387
             Gilles Klopman and   
István Kolossváry   Evaluation of quantitative
                                  structure-activity predictions.
                                  Comparison of the predictive power of an
                                  artificial intelligence system with
                                  human experts  . . . . . . . . . . . . . 389--407


Journal of Mathematical Chemistry
Volume 6, Number 1, December, 1991

              Paul G. Mezey and   
             Nenad Trinajsti\'c   Editorial Foreword . . . . . . . . . . . v--vi
                    Anton Amann   Chirality: A superselection rule
                                  generated by the molecular environment?  1--15
            Stefan Schuster and   
                 Ronny Schuster   Detecting strictly detailed balanced
                                  subnetworks in open chemical reaction
                                  networks . . . . . . . . . . . . . . . . 17--40
                  I. Gutman and   
                    D. J. Klein   Generalization of Cyvin's formula  . . . 41--50
            Jesus M. Ugalde and   
                C. Sarasola and   
        L. Domínguez and   
                Russell J. Bovd   The evaluation of electronic extracule
                                  and intracule densities and related
                                  probability functions in terms of
                                  Gaussian basis functions . . . . . . . . 51--61
                 V. Kvasni\vcka   An application of neural networks in
                                  chemistry. Prediction of $^{13}$C NMR
                                  chemical shifts  . . . . . . . . . . . . 63--76
             Holger Dachsel and   
                 Wolfgang Quapp   An analytical computation of Christoffel
                                  symbols for reaction coordinate and
                                  trajectory treatments under internal
                                  coordinates  . . . . . . . . . . . . . . 77--90
            P. Seetharamulu and   
              Gordon M. Crippen   A potential function for protein folding 91--110
                  J. Cioslowski   A conjecture on benzenoid graphs . . . . 111--111
                 Raymond Kapral   Discrete models for chemically reacting
                                  systems  . . . . . . . . . . . . . . . . 113--163
             Metin Demiralp and   
                Herschel Rabitz   Factorization of certain evolution
                                  operators using Lie algebra: Formulation
                                  of the method  . . . . . . . . . . . . . 165--191
             Metin Demiralp and   
                Herschel Rabitz   Factorization of certain evolution
                                  operators using Lie algebra: Convergence
                                  theorems . . . . . . . . . . . . . . . . 193--204
               G. A. Arteca and   
                    P. G. Mezey   A conjecture on the change of electronic
                                  density of a molecule under an isotropic
                                  dilatation of the nuclear geometry . . . 205--206
              J. Broeckhove and   
              L. Lathouwers and   
                  P. Van Leuven   The generator coordinate approximation
                                  for molecules: A review  . . . . . . . . 207--241
            Andrzej B. Buda and   
 Thomas P. E. Auf der Heyde and   
                    Kurt Mislow   Geometric chirality products . . . . . . 243--253
 Thomas P. E. Auf der Heyde and   
            Andrzej B. Buda and   
                    Kurt Mislow   Desymmetrization and degree of chirality 255--265
            Klaus Brinkmann and   
              Heinz Kleindienst   Analytic evaluation of multicenter
                                  integrals for Gaussian-type orbitals . . 267--279
                  J. Brocas and   
                      M. Bauwin   Permutational character of dsd
                                  mechanisms in heptacoordinate chemistry  281--294
               Frank Harary and   
           Douglas J. Klein and   
         Tomislav P. Zivkovi\'c   Graphical properties of polyhexes:
                                  Perfect matching vector and forcing  . . 295--306
              Gordon M. Crippen   Chemical distance geometry: Current
                                  realization and future projection  . . . 307--324
                B. W. Clare and   
                   D. L. Kepert   The optimal packing of circles on a
                                  sphere . . . . . . . . . . . . . . . . . 325--349
                     Peter Senn   Numerical computation of surface areas
                                  of molecules . . . . . . . . . . . . . . 351--358
                    A. Kern and   
                 H.-J. Krug and   
                    L. Pohlmann   Nucleation in a bistable
                                  Belousov--Zhabotinskii system  . . . . . 359--375
                  I. Gutman and   
              J. W. Kennedy and   
                  L. V. Quintas   Perfect matchings in random hexagonal
                                  chain graphs . . . . . . . . . . . . . . 377--383
                    D. J. Klein   Comment on average Kekulé-structure
                                  counts for random conjugated copolymers  385--388


Journal of Mathematical Chemistry
Volume 7, Number 1, December, 1991

                  Paul G. Mezey   Editorial foreword . . . . . . . . . . . i--i
               Mark Johnson and   
              Chun-che Tsai and   
               Victor Nicholson   Chemical stereographs: An extension of
                                  chemical graphs for representing
                                  stereochemical and conformational
                                  structures . . . . . . . . . . . . . . . 3--38
                  Paul G. Mezey   The degree of similarity of
                                  three-dimensional bodies: Application to
                                  molecular shape analysis . . . . . . . . 39--49
                     R. B. King   Topological aspects of chemically
                                  significant polyhedra  . . . . . . . . . 51--68
                     R. B. King   Experimental tests of chirality algebra  69--84
          S. G. Whittington and   
              C. E. Soteros and   
                      N. Madras   Temperature dependence of the
                                  configurational free energy of a
                                  branched polymer . . . . . . . . . . . . 87--94
              Akitomo Tachibana   String model of chemical reaction
                                  coordinate . . . . . . . . . . . . . . . 95--110
                Shinsaku Fujita   Enumeration of organic reactions by
                                  counting substructures of imaginary
                                  transition structures. Importance of
                                  orbits governed by coset representations 111--133
            Mikhail H. Klin and   
            Serge S. Tratch and   
             Nikolai S. Zefirov   Group-theoretical approach to the
                                  investigation of reaction graphs for
                                  highly degenerate rearrangements of
                                  chemical compounds I. Criterion of the
                                  connectivity of a graph  . . . . . . . . 135--151
                 Milan Randi\'c   Generalized molecular descriptors  . . . 155--168
              D. H. Rouvray and   
                    H. Kumazaki   Prediction of molecular flexibility in
                                  halogenated alkanes via fractal
                                  dimensionality . . . . . . . . . . . . . 169--185
             Gilles Klopman and   
            Robert V. Henderson   A graph theory-based ``expert system''
                                  methodology for structure-activity
                                  studies  . . . . . . . . . . . . . . . . 187--216
               Mayumi Oyama and   
           Shin-ichi Sasaki and   
              Mototsugu Yoshida   Application of the stepwise clustering
                                  method for efficient drawing of
                                  biopolymer structures  . . . . . . . . . 217--227
             Lemont B. Kier and   
             Lowell H. Hall and   
                 Jack W. Frazer   An index of electrotopological state for
                                  atoms in molecules . . . . . . . . . . . 229--241
           Subhash C. Basak and   
            Gerald J. Niemi and   
                Gilman D. Veith   Predicting properties of molecules using
                                  graph invariants . . . . . . . . . . . . 243--272
                  A. M. Doweyko   The hypothetical active site lattice ---
                                  in vitro and in vivo explorations using
                                  a three-dimensional QSAR technique . . . 273--285
                   Haruo Hosoya   Factorization and recursion relations of
                                  the matching and characteristic
                                  polynomials of periodic polymer networks 289--305
              Hidetsugu Abe and   
              Sae Takahashi and   
               Shin-ichi Sasaki   Computer-aided generation of IUPAC
                                  nomenclatures for acyclic compounds  . . 307--324
             Noriyuki Mizoguchi   Hückel and Möbius cyclic conjugated
                                  molecules  . . . . . . . . . . . . . . . 325--340
                        M. Sato   Hamiltonian graph representation of
                                  zeolite frameworks and Si, Al ordering
                                  in the framework . . . . . . . . . . . . 341--352
             K. Balasubramanian   Graph theory and the PPP method  . . . . 353--362
                    Anna Muller   Reassessing the transformation step in
                                  factor theory. The case for a
                                  non-orthogonal transformation matrix . . 363--383


Journal of Mathematical Chemistry
Volume 8, Number 1, December, 1991

                      Anonymous   Editorial foreword . . . . . . . . . . . vii--vii
                      M. Delest   Polyominoes and animals: Some recent
                                  results  . . . . . . . . . . . . . . . . 3--18
         Tomislav P. Zivkovi\'c   On graph isomorphism and graph
                                  automorphism . . . . . . . . . . . . . . 19--37
     Krystyna T. Bali\'nska and   
               Louis V. Quintas   The sequential generation of random edge
                                  maximal $f$-graphs as a function of $f$  39--51
               Ante Graovac and   
                 Tomaz Pisanski   On the Wiener index of a graph . . . . . 53--62
                S. J. Cyvin and   
                J. Brunvoll and   
                    B. N. Cyvin   A periodic table for all-benzenoid
                                  hydrocarbons and enumerations of some
                                  polyrex isomers  . . . . . . . . . . . . 63--75
                    E. C. Kirby   On the recognition of structural
                                  features: Some general problems
                                  illustrated by Hamiltonian paths in
                                  polyhexes  . . . . . . . . . . . . . . . 77--87
                  Paul G. Mezey   The $ \alpha $, $ \beta $, $ \gamma
                                  $-Hull and the $T$-hull of a point set:
                                  Tools for the analysis of shapes and
                                  relative orientations of objects in
                                  $3$d-space . . . . . . . . . . . . . . . 91--102
               Robert Ponec and   
                  Martin Strnad   Topological aspects of chemical
                                  reactivity . . . . . . . . . . . . . . . 103--112
               D. Plavsi\'c and   
               S. Nikoli\'c and   
                N. Trinajsti\'c   The conjugated-circuit model: The
                                  optimum parameters for benzenoid
                                  hydrocarbons . . . . . . . . . . . . . . 113--120
        I. Fabi\vc-Petra\vc and   
         B. Jerman-Blazi\vc and   
                    V. Batagelj   Study of computation, relatedness and
                                  activity prediction of topological
                                  indices  . . . . . . . . . . . . . . . . 121--134
             M. Djrasovi\'c and   
              S. Grubaci\'c and   
                 Z. Stipcevi\'c   A list-processing approach to quantum
                                  mechanics  . . . . . . . . . . . . . . . 137--150
  Péter R. Surján   Nonlinear Schrödinger equations and
                                  intermolecular interactions  . . . . . . 151--160
                 W. S. Ptak and   
                  J. Giemza and   
                       K. Tkacz   Differential equations for total energy
                                  of atoms and atomic ions within
                                  Thomas--Fermi approximation  . . . . . . 161--168
                  J. Cioslowski   Partitioning of the orbital overlap
                                  matrix and the localization criteria . . 169--178
                 L. Klasing and   
           Lj. Pasa Toli\'c and   
                  H. Spiegl and   
                 J. V. Knop and   
                  S. P. McGlynn   Positional and conformational dependence
                                  of long-range interactions in $ 3, 16$-
                                  and $ 3, 17$-androstanediones  . . . . . 179--184
         D. Viki\'c-Topi\'c and   
            C. L. Khetrapal and   
             G. R. Christie and   
                  P. Sandor and   
                      Z. Mei\'c   On the models for deuterium long-range
                                  isotope effects in $^{13}$C NMR
                                  spectroscopy . . . . . . . . . . . . . . 185--192
          Erdem Buyukbingol and   
                 Gilles Klopman   A new proposed model of aldose reductase
                                  enzyme inhibition on the basis of an
                                  artificial intelligence approach: A
                                  computer automated structure evaluation
                                  (case) study . . . . . . . . . . . . . . 195--205
              Mladen Mintas and   
                 Nenad Raos and   
           Albrecht Mannschreck   Molecular-mechanics calculations of the
                                  geometry and racemization energies of an
                                  $N$-aryl-2(1H)-quinolone and
                                  $N$-aryl-$4$-pyridones . . . . . . . . . 207--216
                   Ning Luo and   
           Masayuki Shibata and   
                    Robert Rein   An algorithm for converting a
                                  virtual-bond chain into a complete
                                  polypeptide backbone chain . . . . . . . 217--227
            Davor Jureti\'c and   
             Robert W. Williams   Protein secondary structure preferencs   229--242
                B. Borstnik and   
                      D. Lukman   Percolation of randomly centered rods
                                  and spheres  . . . . . . . . . . . . . . 245--254
                    R. Brak and   
             A. J. Guttmann and   
              S. G. Whittington   On the behaviour of collapsing linear
                                  and branched polymers  . . . . . . . . . 255--267
         Jelena Radi\'c-Peri\'c   Calculation of partition functions of
                                  tetra-atomic molecules . . . . . . . . . 269--279
            Jelena Jefti\'c and   
                Tomislav Cvitas   Analysis of ozone monitoring data  . . . 283--289
                  T. A. Jelmert   Properties of the square-root derivative
                                  type curve . . . . . . . . . . . . . . . 291--305
             Tamara M. Gund and   
             Kanhiya Shukla and   
                  Tsung-Ping Su   Molecular modeling of sigma receptor
                                  ligands: A model of binding based on
                                  conformational and electrostatic
                                  considerations . . . . . . . . . . . . . 309--325
            Michael I. Trofimov   An optimization of the procedure for the
                                  calculation of Hosoya's index  . . . . . 327--332
              M. L. Ellzey, Jr.   Expression of the $ {\rm SU}(2) $
                                  rotation matrices $ D(^j) $ in terms of
                                  normalized irreducible tensorial
                                  matrices . . . . . . . . . . . . . . . . 333--344
                Peter Rowlinson   On the characteristic polynomials of
                                  spirographs and related graphs . . . . . 345--354
                  I. Gutman and   
              R. B. Mallion and   
                  D. H. Rouvray   Extension of the pairing theorem to
                                  Möbius non-alternant hydrocarbons . . . . 355--366
          Plamen A. Demirev and   
     Alexander S. Dyulgerov and   
                 Ivan P. Bangov   CTI: A novel charge-related topological
                                  index with low degeneracy  . . . . . . . 367--382
       Alexandru T. Balaban and   
          Teodor-Silviu Balaban   New vertex invariants and topological
                                  indices of chemical graphs based on
                                  information on distances . . . . . . . . 383--397
              R. B. Mallion and   
                  D. H. Rouvray   Postcript to ``The golden jubilee of the
                                  Coulson--Rushbrooke pairing theorem''    399--400


Journal of Mathematical Chemistry
Volume 9, Number 1, March, 1992

                   Ivar Ugi and   
                    Alf Dengler   The algebraic and graph theoretical
                                  completion of truncated reaction
                                  equations  . . . . . . . . . . . . . . . 1--10
               Guo Xiaofeng and   
                     Zhang Fuji   An improvement of the canonical P--V
                                  path elimination for recognizing Kekuléan
                                  benzenoid systems  . . . . . . . . . . . 11--17
                S. J. Cyvin and   
                J. Brunvoll and   
                    B. N. Cyvin   Harary--Read numbers for catafusenes:
                                  Complete classification according to
                                  symmetry . . . . . . . . . . . . . . . . 19--31
                S. J. Cyvin and   
                    J. Brunvoll   Generating functions for the
                                  Harary--Read numbers classified
                                  according to symmetry  . . . . . . . . . 33--38
                     R. S. Nord   The end-on mechanism for lattice
                                  filling: Comparison with the
                                  conventional mechanism and application
                                  to the car-parking problem . . . . . . . 39--53
         Tomislav P. Zivkovi\'c   Eigenvalues of the real generalized
                                  eigenvalue equation perturbed by a
                                  low-rank perturbation  . . . . . . . . . 55--73
             Danail Bonchev and   
                 Lemont B. Kier   Topological atomic indices and the
                                  electronic charges in alkanes  . . . . . 75--85
       Julián Echave and   
  Francisco M. Fernández   Baker--Campbell--Hausdorff relations for
                                  finite-dimensional Lie algebras  . . . . 87--94

Journal of Mathematical Chemistry
Volume 9, Number 2, June, 1992

                 Milan Randi\'c   In search of structural invariants . . . 97--146
              William S. Rayens   Barycentric coordinates and the
                                  orientation of the classical mixture
                                  surface  . . . . . . . . . . . . . . . . 147--160
               Ian Bytheway and   
                David L. Kepert   The mathematical modelling of cluster
                                  geometry . . . . . . . . . . . . . . . . 161--180
             V. Kvasni\vcka and   
            J. Pospíchal   An improved method of constructive
                                  enumeration of graphs  . . . . . . . . . 181--196

Journal of Mathematical Chemistry
Volume 9, Number 3, September, 1992

              P. Csavinszky and   
                       H. Oyoko   Binding energies of on-axis hydrogenic
                                  and nonhydrogenic donors in GaAs/Ga$_{1
                                  - x}$Al$_x$As  . . . . . . . . . . . . . 197--206
      Christoph Rücker and   
              Gerta Rücker   Understanding the properties of
                                  isospectral points and pairs in graphs:
                                  The concept of orthogonal relation . . . 207--238
                 A. A. Dobrynin   Graphs of unbranched hexagonal systems
                                  with equal values of the Wiener index
                                  and different numbers of rings . . . . . 239--252
                 Jerry Ray Dias   Algebraic structure count  . . . . . . . 253--260
                 D. Babi\'c and   
                      I. Gutman   On isospectral benzenoid graphs  . . . . 261--278
               Xiaofeng Guo and   
                     Fuji Zhang   Mathematical properties and structures
                                  of sets of sextet patterns of
                                  generalized polyhexes  . . . . . . . . . 279--290
             Pawel M. Kozlowski   Note on the density matrix for an
                                  arbitrary number of closed shells in a
                                  bare Coulomb field . . . . . . . . . . . 291--294

Journal of Mathematical Chemistry
Volume 9, Number 4, December, 1992

                     Milan Kunz   A Möbius inversion of the Ulam subgraphs
                                  conjecture . . . . . . . . . . . . . . . 297--305
                 Peter L. Simon   The reversible LVA model . . . . . . . . 307--322
              Henrik Farkas and   
                 Peter L. Simon   Use of the parametric representation
                                  method in revealing the root structure
                                  and Hopf bifurcation . . . . . . . . . . 323--339
               Lemi Türker   An upper bound for the largest
                                  eigenvalue of a graph: Effect of types
                                  of vertices  . . . . . . . . . . . . . . 341--349
         Christiane Mercier and   
                 Yves Sobel and   
           Jacques-Emile Dubois   Impact of regularity in
                                  structure-property relationships . . . . 351--357
István Kolossváry and   
                 Colin McMartin   On the degeneracy of the Hessian matrix  359--367
                 G. Póta   Exact necessary conditions for
                                  oscillatory behaviour in a class of
                                  closed isothermal reaction systems . . . 369--372
             Nenad Trinajsti\'c   On the classification of polyhexes . . . 373--380
            Sonja Nikoli\'c and   
            Dejan Plavsi\'c and   
             Nenad Trinajsti\'c   On the $z$-counting polynomial for
                                  edge-weighted graphs . . . . . . . . . . 381--387
                    S. J. Cyvin   Generalization of extremal hexagonal
                                  animals (Polyhexes)  . . . . . . . . . . 389--390


Journal of Mathematical Chemistry
Volume 10, Number 1, December, 1992

     Peter R. Surján and   
Gábor Náray-Szabó and   
              Paul G. Mezey and   
             Nenad Trinajsti\'c   Editorial foreword . . . . . . . . . . . vii--viii
               William H. Adams   The problem of unphysical states in the
                                  theory of intermolecular interactions    1--23
                S. Huzinaga and   
                 S. Katsuki and   
                    O. Matsuoka   Effective Hamiltonian method for
                                  environmental effects  . . . . . . . . . 25--39
                 Luis Seijo and   
       Zoila Barandiarán   Self-consistent embedded clusters:
                                  Building block equations for localized
                                  orthogonal orbitals  . . . . . . . . . . 41--56
               Ernest L. Mehler   Self-consistent, nonorthogonal group
                                  function approximation: An ab initio
                                  approach for modelling interacting
                                  fragments and environmental effects  . . 57--91
János G. Ángyán   Common theoretical framework for quantum
                                  chemical solvent effect theories . . . . 93--137
                       O. Tapia   Solvent effect theories: Quantum and
                                  classical formalisms and their
                                  applications in chemistry and
                                  biochemistry . . . . . . . . . . . . . . 139--181
          Stanislav Miertus and   
                Vladimir Frecer   Continuum models of environmental
                                  effects on molecular structure and
                                  mechanisms in chemistry and biology  . . 183--204
            Inge Ròeggen   An energy decomposition analysis of
                                  intermolecular interactions  . . . . . . 205--220
             Aage E. Hansen and   
               Thomas D. Bouman   Chromophores in spectroscopy: Ab initio
                                  studies of localized descriptions of
                                  molecular electronic excitations . . . . 221--247
              Andrea Peluso and   
                Carlo Adamo and   
                Giuseppe Del Re   A theoretical analysis of excited state
                                  proton transfer in $3$-hydroxyflavone.
                                  Promoting effect of a low frequency
                                  bending mode . . . . . . . . . . . . . . 249--274
                   B. Silvi and   
         V. Chandrasekharan and   
             M. E. Alikhani and   
                   R. D. Etters   Modelling light diatomics trapped in
                                  rare gas matrices: H$_2$, HD and D$_2$
                                  in Ar, Kr and Xe . . . . . . . . . . . . 275--302
István László   Embedding by pseudo atoms, and the
                                  topologically determined one-electronic
                                  energy levels  . . . . . . . . . . . . . 303--311
       Jenö Kürti and   
  Péter R. Surján   Embedded units in conjugated polymers    313--327
           Gustav A. Arteca and   
                  Paul G. Mezey   Configurational dependence of molecular
                                  shape  . . . . . . . . . . . . . . . . . 329--371


Journal of Mathematical Chemistry
Volume 11, Number 1, December, 1992

              Paul G. Mezey and   
             Nenad Trinajsti\'c   Editorial foreword . . . . . . . . . . . i--i
                R. Baraglia and   
                 R. Ferrini and   
               D. Laforenza and   
                  R. Perego and   
                A. Lagan\`a and   
                     O. Gervasi   A massively parallel approach to the
                                  quasiclassical reactive scattering . . . 1--11
             Maurice Kibler and   
          Tidjani Négadi   On quantum groups and their potential
                                  use in mathematical chemistry  . . . . . 13--25
                  Paul G. Mezey   Similarity analysis in two and three
                                  dimensions using lattice animals and
                                  polycubes  . . . . . . . . . . . . . . . 27--45
        Victor A. Nicholson and   
             Gerald M. Maggiora   An augmented ribbon model of protein
                                  structure  . . . . . . . . . . . . . . . 47--63
           Eugeny V. Babaev and   
             Nikolai S. Zefirov   Ring-transformation graphs and their
                                  application to degenerate heterocyclic
                                  rearrangements . . . . . . . . . . . . . 65--78
      Teodor Silviu Balaban and   
             Petru A. Filip and   
                Ovidiu Ivanciuc   Computer generation of acyclic graphs
                                  based on local vertex invariants and
                                  topological indices. Derived canonical
                                  labelling and coding of trees and
                                  alkanes  . . . . . . . . . . . . . . . . 79--105
                 D. Bonchev and   
                O. Mekenyan and   
                    V. Kamenska   A topological approach to the modelling
                                  of polymer properties (The tempo method) 107--132
            M. Djurasovi\'c and   
                 Z. Stipcevi\'c   Combinatorial and noncommutative
                                  list-processing and associated graphs    133--144
                   Harald Gropp   Configurations, regular graphs and
                                  chemical compounds . . . . . . . . . . . 145--153
            Ovidiu Ivanciuc and   
           Alexandru T. Balaban   Nonisomorphic graphs with identical
                                  atomic counts of self-returning walks:
                                  Isocodal graphs  . . . . . . . . . . . . 155--167
            Ovidiu Ivanciuc and   
           Alexandru T. Balaban   Recurrence relationships for the
                                  computation of the number of Kekulé
                                  structures . . . . . . . . . . . . . . . 169--177
              Albin Juri\'c and   
                Mirko Gagro and   
            Sonja Nikoli\'c and   
             Nenad Trinajsti\'c   Molecular topological index: An
                                  application in the QSAR study of
                                  toxicity of alcohols . . . . . . . . . . 179--186
                    E. C. Kirby   Coding and enumeration of trees that can
                                  be laid upon a hexagon lattice . . . . . 187--197
                D. J. Klein and   
                         X. Liu   Theorems for carbon cages  . . . . . . . 199--205
                 E. Keith Lloyd   Marks of permutation groups and isomer
                                  enumeration  . . . . . . . . . . . . . . 207--222
           Zlatko Mihali\'c and   
               Darko Veljan and   
              Dragan Ami\'c and   
            Sonja Nikoli\'c and   
            Dejan Plavsi\'c and   
             Nenad Trinajsti\'c   The distance matrix in chemistry . . . . 223--258
               M. V. Diudea and   
                 D. Horvath and   
                I. E. Kacso and   
            O. M. Minailiuc and   
                        B. Parv   Molecular topology. VIII: Centricities
                                  in molecular graphs. The MOLCEN
                                  algorithm  . . . . . . . . . . . . . . . 259--270
              Sanja Sekusak and   
           Aleksandar Sablji\'c   Soil sorption and chemical topology  . . 271--280
                S. J. Cyvin and   
                 Fuji Zhang and   
                    J. Brunvoll   Enumeration of perifusenes with one
                                  internal vertex: A complete mathematical
                                  solution . . . . . . . . . . . . . . . . 283--292
                 Fuji Zhang and   
                   Xiaofeng Guo   The existence of Kekulé structures in
                                  helicenes and enumeration of concealed
                                  non--Kekuléan helicenes with $h \leq 13$  293--309
                M. Demiralp and   
              N. A. Baykara and   
                      H. Taseli   A basis set comparison in a variational
                                  scheme for the Yukawa potential  . . . . 311--323
         Eugene S. Kryachko and   
   Eduardo V. Ludeña and   
                Toshikatsu Koga   Formulation of $N$- and $ \upsilon
                                  $-representable density functional
                                  theory. III: Excited states  . . . . . . 325--339
                F. P. Temme and   
                    J. P. Colpa   Summary of $ S_n $ mapping properties of
                                  some lexical $p$-tuples, or wordlengths,
                                  over $ (M_1 - M_2)$ fields of
                                  Rota--Cayley algebra in generating
                                  Hilbert space $ {\rm SO}(3) \times S_n$
                                  irreps of higher $ I_i$ identical spin
                                  clusters, $ [A]_n(S_n)$, for $ n \leq 7$ 341--352
               V. Kvasnicka and   
            J. Pospíchal   An existence theorem for molecular
                                  graphs determined by a sequence of
                                  valence states . . . . . . . . . . . . . 353--364
                J. P. Leroy and   
                 R. Wallace and   
                      H. Rabitz   A strategy to derive new internal
                                  coordinates by partitioning the internal
                                  configuration space according to
                                  invariance properties  . . . . . . . . . 365--404
László L. Stachó and   
    Miklós I. Bán   Mathematical foundation of a global
                                  strategy for searching reaction paths    405--421
                      Anonymous   Erratum  . . . . . . . . . . . . . . . . 423--423


Journal of Mathematical Chemistry
Volume 12, Number 1, December, 1993

              Paul G. Mezey and   
             Nenad Trinajsti\'c   Editorial Foreword . . . . . . . . . . . i--i
Francisco M. Fernández and   
              Eduardo A. Castro   Quasi-algebraic treatment of bound
                                  states of simple one-electron systems    1--8
                  R. Bruce King   Chemical applications of topology and
                                  group theory. 26. The sextuple
                                  diamond--square--diamond rearrangement
                                  of the icosahedron through a
                                  cuboctahedron intermediate . . . . . . . 9--16
            Keith F. Taylor and   
               Shigeru Arimotol   The functional calculus and a
                                  generalization of the
                                  Coulson--Rushbrooke pairing theorem  . . 17--27
           Jerzy Cioslowski and   
                Stacey T. Mixon   Exact topological $ \pi $-electron
                                  Hamiltonians from ab initio
                                  wavefunctions? . . . . . . . . . . . . . 29--36
              Gustavo A. Arteca   Small- and large-scale global shape
                                  features in macromolecular backbones . . 37--51
           Victor Nicholson and   
                 John P. Neuzil   The projection graph of the augmented
                                  ribbon model is unique . . . . . . . . . 53--58
             Gary Chartrand and   
        Héctor Hevia and   
                Mark A. Johnson   A representation of chemical
                                  transformations by labeled graphs  . . . 59--80
                D. J. Klein and   
                    M. Randi\'c   Resistance distance  . . . . . . . . . . 81--95
                  Kuo-Chen Chou   Graphic rule for non-steady-state enzyme
                                  kinetics and protein folding kinetics    97--108
                J. Brunvoll and   
                B. N. Cyvin and   
                    S. J. Cyvin   More about extremal animals  . . . . . . 109--119
              Shyi-Long Lee and   
                  Yeong-Nan Yeh   On eigenvalues and eigenvectors of
                                  graphs . . . . . . . . . . . . . . . . . 121--135
                     D. Babi\'c   Isospectral benzenoid graphs with an odd
                                  number of vertices . . . . . . . . . . . 137--146
               Rong-si Chen and   
                  Xiao-feng Guo   $k$-coverable coronoid systems . . . . . 147--162
              Xiao-feng Guo and   
                     Fuji Zhang   An efficient algorithm for generating
                                  all Kekulé patterns of a generalized
                                  benzenoid system . . . . . . . . . . . . 163--171
                Shinsaku Fujita   Enumeration of digraphs with a given
                                  automorphism group . . . . . . . . . . . 173--195
                    Ivan Gutman   Extremal hexagonal chains  . . . . . . . 197--210
               Haruo Hosoya and   
                   Frank Harary   On the matching properties of three
                                  fence graphs . . . . . . . . . . . . . . 211--218
             Hongxing Zhang and   
             K. Balasubramanian   Moments and characteristic polynomials
                                  for square lattice graphs  . . . . . . . 219--234
            Dejan Plavsi\'c and   
            Sonja Nikoli\'c and   
         Nenad Trinajsti\'c and   
               Zlatko Mihali\'c   On the Harary index for the
                                  characterization of chemical graphs  . . 235--250
            Sonja Nikoli\'c and   
         Nenad Trinajsti\'c and   
                 Zlatko Mihalid   Molecular topological index: An
                                  extension to heterosystems . . . . . . . 251--264
             Noriyuki Mizoguchi   Graphs corresponding to reference
                                  polynomial or to circuit characteristic
                                  polynomial . . . . . . . . . . . . . . . 265--277
               Ying-Duo Gao and   
            Hitomi Kumazaki and   
                Junko Terai and   
               Kanako Chida and   
                   Haruo Hosoya   Topological factors governing the
                                  HOMO--LUMO band gap of the density of
                                  states of periodic hydrocarbon polymer
                                  networks . . . . . . . . . . . . . . . . 279--308
            Ovidiu Ivanciuc and   
      Teodor-Silviu Balaban and   
           Alexandru T. Balaban   Design of topological indices. Part 4.
                                  Reciprocal distance matrix, related
                                  local vertex invariants and topological
                                  indices  . . . . . . . . . . . . . . . . 309--318
                Oktay Sinanoglu   Autocatalytic and other general networks
                                  for chemical mechanisms, pathways, and
                                  cycles: Their systematic and topological
                                  generation . . . . . . . . . . . . . . . 319--363
                  Paul G. Mezey   Topological shape analysis of chain
                                  molecules: An application of the GSTE
                                  principle  . . . . . . . . . . . . . . . 365--373


Journal of Mathematical Chemistry
Volume 13, Number 1, December, 1993

              Paul G. Mezey and   
             Nenad Trinajsti\'c   Editorial foreword . . . . . . . . . . . vii--vii
                 Nicolas Rivier   Entanglements in glass . . . . . . . . . 1--14
          Michael F. Herman and   
                      Ping Tong   Models for the dynamics of monodisperse
                                  polymer melts based on lateral chain
                                  motions  . . . . . . . . . . . . . . . . 15--32
           Giuseppe Chirico and   
                Ulrike Kapp and   
           Konstanin Klenin and   
              Werner Kremer and   
            Jörg Langowski   Ten microseconds in the life of a
                                  superhelix . . . . . . . . . . . . . . . 33--43
                      G. Schill   Thirty years of investigations in the
                                  field of catenanes, rotaxanes and knots  45--46
                  Enno Logemann   Real molecules as models for
                                  mathematical chemistry . . . . . . . . . 47--51
              Walter Littke and   
                  Enno Logemann   Real molecules as models for
                                  mathematical chemistry . . . . . . . . . 53--57
                  Paul G. Mezey   Dynamic shape analysis of molecules in
                                  restricted domains of a configuration
                                  space  . . . . . . . . . . . . . . . . . 59--70
              Peter L. Easthope   Classifying the conformations of a
                                  chemical system using matrices of
                                  integers . . . . . . . . . . . . . . . . 73--94
          Daniel A. Morales and   
                 Oswaldo Araujo   On the search for the best correlation
                                  between graph theoretical invariants and
                                  physicochemical properties . . . . . . . 95--106
                  Ede Kapuy and   
              Cornelia Kozmutza   On the use of spatial symmetry in ab
                                  initio calculations. Transformation of
                                  the two-electron integrals from atomic
                                  orbital to localized molecular orbital
                                  basis  . . . . . . . . . . . . . . . . . 107--113
        Arturas K. Dubickas and   
               A. A. Petraaskas   Application of the linear free energy
                                  principle for derivation of nonlinear
                                  quantitative structure-activity
                                  relationships. A steady-state kinetic
                                  model  . . . . . . . . . . . . . . . . . 115--132
          M. Desainte-Catherine   A honeycomb graph perfect matchings
                                  enumeration  . . . . . . . . . . . . . . 133--143
                     Milan Kunz   On topological and geometrical distance
                                  matrices . . . . . . . . . . . . . . . . 145--151
                    F. P. Temme   On general forms for structure of some $
                                  [n - 1, 1] \otimes [\lambda] L_{ n n } $
                                  inner tensor products with $ 6 \leq n
                                  \leq 20 $, ($ 60$) for $n$ even, in the
                                  context of spin cluster problems of
                                  multiquantum NMR . . . . . . . . . . . . 153--165
        Richard W. Freedman and   
                   Fred Gornick   Further reflections on the
                                  one-dimensional packing problem  . . . . 167--176
                    A. Tone and   
                    L. Lain and   
                      J. Millan   Contraction algorithms for third-order
                                  reduced density matrices: Symmetric
                                  group approach . . . . . . . . . . . . . 177--189
                 George G. Hall   Eigenvalue distributions in alternant
                                  hydrocarbons . . . . . . . . . . . . . . 191--203
                Zbigniew Zimpel   The metric properties of the reduced
                                  nuclear configuration space: Remarks . . 205--208
                Kurt Mislow and   
         Pietro Poggi-Corradini   Shape space of achiral simplexes . . . . 209--211
                  I. Gutman and   
                  S. Markovi\'c   Benzenoid graphs with equal maximum
                                  eigenvalues  . . . . . . . . . . . . . . 213--215
            Shigeru Arimoto and   
               Mark Spivakovsky   The Asymptotic Linearity Theorem for the
                                  study of additivity problems of the
                                  zero-point vibrational energy of
                                  hydrocarbons and the total pi-electron
                                  energy of alternant hydrocarbons . . . . 217--247
            Shigeru Arimoto and   
                   Keith Taylor   Aspects of form and general topology:
                                  Alpha Space Asymptotic Linearity Theorem
                                  and the spectral symmetry of alternants  249--264
            Shigeru Arimoto and   
                   Keith Taylor   Practical version of the Asymptotic
                                  Linearity Theorem with applications to
                                  the additivity problems of thermodynamic
                                  quantities . . . . . . . . . . . . . . . 265--272
                Xiangzhu Li and   
                   Josef Paldus   Unitary group tensor operator algebras
                                  for many-electron systems: II. One- and
                                  two-body matrix elements . . . . . . . . 273--316
          G. Magela e Silva and   
       L. A. C. Malbouisson and   
          A. Naves de Brito and   
                J. D. M. Vianna   Functional analysis concepts and
                                  Hartree--Fock instability conditions . . 317--330
         Ramon Carbó and   
            Emili Besalú   Nested summation symbols and
                                  perturbation theory  . . . . . . . . . . 331--342
István Csorvássy and   
   Lajos Tözsér and   
Levente Kárpáti and   
Gábor Náray-Szabó   The molecular transform as a similarity
                                  measure  . . . . . . . . . . . . . . . . 343--357
            Edward C. Kirby and   
                    Ivan Gutman   The branching graphs of polyhexes: Some
                                  elementary theorems, conjectures and
                                  open questions . . . . . . . . . . . . . 359--374


Journal of Mathematical Chemistry
Volume 14, Number 1, December, 1993

              Paul G. Mezey and   
             Nenad Trinajsti\'c   Editorial foreword . . . . . . . . . . . vii--vii
                  P. Csavinszky   Attainable accuracy in the numerical
                                  integration of the Thomas--Fermi
                                  kinetic-energy functional using a
                                  modeled electron density . . . . . . . . 1--6
                      S. Flesia   Lattice models for the collapse of
                                  branched polymers  . . . . . . . . . . . 7--20
            Ovidiu Ivanciuc and   
      Teodor-Silviu Balaban and   
           Alexandru T. Balaban   Chemical graphs with degenerate
                                  topological indices based on information
                                  on distances . . . . . . . . . . . . . . 21--33
            Davor Jureti\'c and   
           Nenad Trinajstic and   
                   Bono Luci\'c   Protein secondary structure
                                  conformations and associated
                                  hydrophobicity scales  . . . . . . . . . 35--45
            Shin'ichi Kinoshita   On the three-fold irregular branched
                                  coverings of spatial four-valent graphs
                                  and its applications . . . . . . . . . . 47--55
               Bruno Linder and   
             Robert A. Kromhout   A formulation of statistical mechanics
                                  of ordered systems . . . . . . . . . . . 57--70
        Kevin W. McLaughlin and   
            Craig M. Bertolucci   Applications of generating functions to
                                  polymerization kinetics. 3. General
                                  procedure illustrated for propagation
                                  with monomer conversion  . . . . . . . . 71--78
                  Paul G. Mezey   New rules on potential surface topology
                                  and critical point search  . . . . . . . 79--90
                  C. E. Soteros   Lattice models of branched polymers with
                                  specified topologies . . . . . . . . . . 91--102
              S. G. Whittington   Statistical mechanics of
                                  three-dimensional vesicles . . . . . . . 103--110
             K. Balasubramanian   Generalization of de Bruijn's extension
                                  of Pólya's theorem to all characters  . . 113--120
                    Yuan-Jie Ye   The extended negative factor counting
                                  method for tridiagonal block matrices
                                  with cross links . . . . . . . . . . . . 121--139
                Yuan-Jie Ye and   
             János Ladik   The application of the extended negative
                                  factor counting method to deal with the
                                  electronic energy levels of pig insulin  141--152
                      J. Brocas   The dsd model in heptacoordinate
                                  stereochemistry: a comparison with
                                  experiment . . . . . . . . . . . . . . . 153--174
                 A. A. Dobrynin   Degeneracy of some matrix graph
                                  invariants . . . . . . . . . . . . . . . 175--184
                Oktay Sinanoglu   Dyad algebra and multiplication of
                                  graphs. I. Directed graphs . . . . . . . 185--194
                Oktay Sinanoglu   Dyad algebra and multiplication of
                                  graphs. II. Undirected graphs  . . . . . 195--205
                Toshikatsu Koga   Energy functional of the axial marginal
                                  densit in linear molecules . . . . . . . 207--217
J. M. García de la Vega and   
                      B. Miguel   Analytic expressions for one-centre
                                  $p$-space integrals over Slater
                                  functions  . . . . . . . . . . . . . . . 219--229
              Shyi-Long Lee and   
                  Yeong-Nan Yeh   Topological analysis of some special
                                  classes of graphs. II. Steps, ladders,
                                  cylinders  . . . . . . . . . . . . . . . 231--241
             Milan Randi\'c and   
          Keneth J. Kopecky and   
               Bernadette Baker   Generalized Wheland polynomial for large
                                  graphs . . . . . . . . . . . . . . . . . 243--258
             Wolfgang Quapp and   
          Brenda P. Winnewisser   What you thought you already knew about
                                  the bending motion of triatomic
                                  molecules  . . . . . . . . . . . . . . . 259--285
             Danail Bonchev and   
           Alexandru T. Balaban   Central vertices versus central rings in
                                  polycyclic systems . . . . . . . . . . . 287--304
                Sherif El-Basil   Kekulé structures as graph generators . . 305--318
                  S. M. Blinder   Generalized Unsöld theorem and radial
                                  distribution function for hydrogenic
                                  orbitals . . . . . . . . . . . . . . . . 319--324
                Xiangzhu Li and   
                   Josef Paldus   Unitary group tensor operator algebras
                                  for many-electron systems. III. Matrix
                                  elements in $ {\rm U}(n_1 + n_2) \supset
                                  {\rm U}(n_1) \times {\rm U}(n_2) $
                                  partitioned basis  . . . . . . . . . . . 325--355
         M. I. Kalinichenko and   
                V. A. Trofitnov   Macrokinetics of laser-induced chemical
                                  reactions in gases . . . . . . . . . . . 357--383
             John S. Rutherford   Generating functions for the cage
                                  isomers of the C$_{20 n}$ icosahedral
                                  fullerenes . . . . . . . . . . . . . . . 385--390
               G. J. Bowden and   
               M. J. Prandolini   Analytical block-diagonalization of
                                  matrices using unit spherical tensors    391--403
         Johan G. B. Beumee and   
                Herschel Rabitz   An application of minimax robust optimal
                                  control theory for selective vibrational
                                  excitation in molecules  . . . . . . . . 405--425
             Noham Weinberg and   
                    Kurt Mislow   Distance functions as generators of
                                  chirality measures . . . . . . . . . . . 427--450
                Zbigniew Zimpel   A geometrical approach to the degree of
                                  chirality and asymmetry  . . . . . . . . 451--465


Journal of Mathematical Chemistry
Volume 15, Number 1, December, 1994

              Chengzi Liang and   
                    Kurt Mislow   On amphicheiral knots  . . . . . . . . . 1--34
             Chengzhi Liang and   
                    Kurt Mislow   A left-right classification of
                                  topologically chiral knots . . . . . . . 35--62
       Helmar Nunes Moreira and   
                    Wang Yuquan   Sufficient conditions for the Sal'nikov
                                  equation to have at least two limit
                                  cycles . . . . . . . . . . . . . . . . . 63--72
                 E. Keith Lloyd   Counterexamples to Cyvin's conjecture    73--76
                M. Butzlaff and   
                  W. Dahmen and   
                S. Diekmann and   
                   A. Dress and   
                 E. Schmitt and   
                 E. von Kitzing   A hierarchical approach to force field
                                  calculations through spline
                                  approximations . . . . . . . . . . . . . 77--92
              Pierre Hansen and   
                   Maolin Zheng   The Clar number of a benzenoid
                                  hydrocarbon and linear programming . . . 93--107
         Alexander V. Mitin and   
                 Gerhard Hirsch   Linear extrapolation in iterative
                                  methods  . . . . . . . . . . . . . . . . 109--113
             Marek Izydorek and   
           Stawomir Rybicki and   
                  Marietta Kern   A note on the existence of heteroclinic
                                  connecting orbits in the
                                  Belousov--Zhabotinskii system  . . . . . 115--121
                    Akio Morita   A simple approach leading to Kramers'
                                  turnover on the rate coefficient based
                                  on Brownian motion with weak colored
                                  dichotomous random force . . . . . . . . 123--130
     F. M. Fernández and   
                  J. F. Ogilvie   Analytic matrix elements of the dipole
                                  moment and Herman--Wallis coefficients   131--142
              Humberto Terrones   Curved graphite and its mathematical
                                  transformations  . . . . . . . . . . . . 143--156
                H. Terrones and   
                   A. L. Mackay   The characterisation of coordination
                                  polyhedra by invariants  . . . . . . . . 157--181
                H. Terrones and   
                   A. L. Mackay   Negatively curved graphite and triply
                                  periodic minimal surfaces  . . . . . . . 183--195
                       G. Gilat   On quantifying chirality --- Obstacles
                                  and problems towards unification . . . . 197--205
                      Anonymous   8th International Congress of Quantum
                                  Chemistry  . . . . . . . . . . . . . . . 206--206
           Ryszard J. Wawak and   
          Kenneth D. Gibson and   
             Harold A. Scheraga   Gradient discontinuities in calculations
                                  involving molecular surface area . . . . 207--232
                     John Avery   Fock transforms in reciprocal-space
                                  quantum theory . . . . . . . . . . . . . 233--244
             Chengzhi Liang and   
                    Kurt Mislow   Classification of topologically chiral
                                  molecules  . . . . . . . . . . . . . . . 245--260
                 P. E. John and   
                  R. B. Malllon   An algorithmic approach to the number of
                                  spanning trees in Buckminsterfullerene   261--271
                 Hengtai Yu and   
      André Bandrauk and   
                   Vijay Sonnad   Application of the finite element method
                                  to time-dependent quantum mechanics: I.
                                  H and He in a laser field  . . . . . . . 273--286
                 Hengtai Yu and   
   André D. Bandrauk and   
                   Vijay Sonnad   Application of the finite element method
                                  to time-dependent quantum mechanics: II.
                                  H$_2^+$ in a laser field . . . . . . . . 287--301
            P. Cassam-Chena\"\i   Variational spaces of electronic
                                  calculations in quantum chemistry  . . . 303--321
               Kyozaburo Takeda   Electronic structure of random
                                  copolymers . . . . . . . . . . . . . . . 323--337
            Michael L. Connolly   Adjoint join volumes . . . . . . . . . . 339--352
                   W. Glunt and   
               T. L. Hayden and   
                   C. Wells and   
             J. G. Shelling and   
                     D. J. Ward   Applications of weighting and chirality
                                  strategies for distance geometry
                                  algorithms to an enterotoxin peptide
                                  analog . . . . . . . . . . . . . . . . . 353--366
                S. J. Ashby and   
               G. J. Bowden and   
               M. J. Prandolini   Irreducible half-integer rank unit
                                  spherical tensors  . . . . . . . . . . . 367--387
                      J. Brocas   The reaction graph of the Cope
                                  rearrangement in bullvalene  . . . . . . 389--395
        Emili Besalú and   
             Ramon Carbó   Generalized Rayleigh--Schrödinger
                                  perturbation theory in matrix form . . . 397--406
           Zlatko Mihali\'c and   
              Darko Babi\'c and   
             Nenad Trinajsti\'c   Benzenoid graphs with equal maximum
                                  eigenvalues  . . . . . . . . . . . . . . 407--407
                    S. J. Cyvin   Generalization of extremal animals once
                                  again  . . . . . . . . . . . . . . . . . 409--410


Journal of Mathematical Chemistry
Volume 16, Number 1, December, 1994

               G. J. Bowden and   
               M. J. Prandolini   Complete solution for two coupled spin-$
                                  1 / 2 $ nuclei evolving under chemical
                                  shift and dipolar interaction  . . . . . 1--7
                S. Pfalzner and   
                 H. Lehmann and   
                    N. H. March   Bound-State Plus Continuum
                                  Electron-Densities, and Slater Sum, in a
                                  Bare Coulomb Field . . . . . . . . . . . 9--18
    Julio Marañón   Path integral's formulation of the
                                  molecular solvent effects  . . . . . . . 19--26
             Chengzhi Liang and   
                    Kurt Mislow   On Borromean links . . . . . . . . . . . 27--35
                   G. Gilat and   
                      Y. Gordon   Geometric properties of chiral bodies    37--48
                    Akio Morita   Diffusion processes with inertial
                                  effects and with boundary conditions ---
                                  A solution to the Wang and Uhlenbeck
                                  problem  . . . . . . . . . . . . . . . . 49--60
               Mihaly Mezei and   
        Katalin Bencsáth   Long-range contribution to
                                  inverse-distance power and Morse energy
                                  and pressure terms of a molecular
                                  liquid, tested on benzene  . . . . . . . 61--71
                    Ivan Gutman   Rectifying a misbelief: Frank Harary's
                                  role in the discovery of the
                                  coefficient-theorem in chemical graph
                                  theory . . . . . . . . . . . . . . . . . 73--78
              Edwin S. Campbell   Positive and negative domains of
                                  vertex-angle space for three-body
                                  contributions of several lower order
                                  dispersion multipoles  . . . . . . . . . 79--92
            Shigeru Arimoto and   
                  Paul G. Mezey   Symmorphy transformations and operators
                                  in the repeat space $ X_r (q) $ for
                                  additivity problems  . . . . . . . . . . 93--114
                J. A. Leach and   
               J. H. Merkin and   
                    S. K. Scott   Oscillations and waves in the
                                  Belousov--Zhabotinskii reaction in a
                                  finite medium  . . . . . . . . . . . . . 115--124
              Jye-Chan Chen and   
              Yu-Chuan Yang and   
                Hsi-Wei Jia and   
                 Tieh-Sheng Lee   Information theoretical analysis of the
                                  hydrogen atom  . . . . . . . . . . . . . 125--136
            Josep Planelles and   
                Pascual Viciano   Reduced Hamiltonians. I: Spin-adapted
                                  and spin-nonadapted reduced Hamiltonians 137--148
            Pascual Viciano and   
                Josep Planelles   Reduced Hamiltonians. II: The
                                  size-consistency of reduced Hamiltonians
                                  defined in model spaces  . . . . . . . . 149--157
                     P. Bracken   Small $ \beta $ expansion for infinite
                                  chain limit of one dimensional Hubbard
                                  model  . . . . . . . . . . . . . . . . . 159--165
              N. A. Baykara and   
                 Metin Demiralp   An auto-coherent variational scheme for
                                  Yukawa potential . . . . . . . . . . . . 167--183
             Metin Demiralp and   
                Herschel Rabitz   Optimal control of classical molecular
                                  dynamics: A perturbation formulation and
                                  the existence of multiple solutions  . . 185--209
               Mehmet Simek and   
           Zeynel Yalçin   Generalized Pöschl--Teller potential  . . 211--215
                  S. Roszak and   
             K. Balasubramanian   Unresolved mathematical problems in the
                                  representation of potential energy
                                  surfaces by many-body potentials . . . . 217--220
            Hideyuki Narumi and   
               Hideaki Kita and   
                   Haruo Hosoya   An expression for the perfect matching
                                  number of cubic $ 2 \times m \times n $
                                  lattices and their asymptotic values . . 221--228
                  I. Gutman and   
                 I. Fishtik and   
              N. Nagypál   An identity in chemical thermodynamics   229--244
                   Remi Chauvin   Chemical algebra. I: Fuzzy subgroups . . 245--256
                   Remi Chauvin   Chemical algebra. II: Discriminating
                                  pairing products . . . . . . . . . . . . 257--268
                   Remi Chauvin   Chemical algebra III: Thermochemical
                                  approach to completely G-invariant
                                  distances  . . . . . . . . . . . . . . . 269--283
                   Remi Chauvin   Chemical algebra. IV: ``Length'' of
                                  transformation pathways between skeletal
                                  analogs  . . . . . . . . . . . . . . . . 285--308
               A. M. Elabsy and   
                  P. Csavinszky   Effect of nonparabolicity of the GaAs
                                  conduction band on the binding energy of
                                  a hydrogenic donor in a GaAs/Ga$_{1 -
                                  x}$Al$_x$As quantum dot  . . . . . . . . 309--313
            Steve Leicester and   
                John Finney and   
                 Robert Bywater   A quantitative representation of
                                  molecular surface shape. I: Theory and
                                  development of the method  . . . . . . . 315--341
            Steve Leicester and   
                John Finney and   
                 Robert Bywater   A quantitative representation of
                                  molecular surface shape. II: Protein
                                  classification using Fourier shape
                                  descriptors and classical scaling  . . . 343--365
                      M. Belger   Principal vectors of crystallographic
                                  groups and applications  . . . . . . . . 367--388
                      Anonymous   An algorithmic approach to the number of
                                  spanning trees in Buckminsterfullerene   389--390


Journal of Mathematical Chemistry
Volume 17, Number 1, February, 1995

             Thomas Wilhelm and   
              Reinhart Heinrich   Smallest chemical reaction system with
                                  Hopf bifurcation . . . . . . . . . . . . 1--14
              Pierre Hansen and   
                   Maolin Zheng   Hamiltonian circuits, Hamiltonian paths
                                  and branching graphs of benzenoid
                                  systems  . . . . . . . . . . . . . . . . 15--33
             Noham Weinberg and   
                    Kurt Mislow   A unification of chirality measures  . . 35--53
            F. M. C. Vieira and   
                    P. M. Bisch   Complete set of Hopf bifurcation in an
                                  autocatalytic ring network . . . . . . . 55--67
                   Jan Duda and   
           Janina Milewska-Duda   A theoretical model for evaluation of
                                  configurational entropy of mixing with
                                  respect to shape and size of particles   69--109
        Jan Cz. Dobrowolski and   
        Michal H. Jamróz   Background elimination in
                                  three-dimensional spectroscopy using the
                                  intensian method . . . . . . . . . . . . 111--121

Journal of Mathematical Chemistry
Volume 17, Number 2, June, 1995

              D. J. Needham and   
                   J. H. Merkin   The effects of coupling on chemical wave
                                  propagation in quadratic and cubic
                                  autocatalysis with decay . . . . . . . . 123--137
        Andreas Müller and   
              Heinz Kleindienst   Error bounds for the nonrelativistic
                                  electronic ground state energy of
                                  molecular hydrogen . . . . . . . . . . . 139--166
András Aszódi and   
              William R. Taylor   Estimating polypeptide $ \alpha $-carbon
                                  distances from multiple sequence
                                  alignments . . . . . . . . . . . . . . . 167--184
                  Paul G. Mezey   Rules on chiral and achiral molecular
                                  transformations  . . . . . . . . . . . . 185--202
            P. Duane Walker and   
                  Paul G. Mezey   A new computational microscope for
                                  molecules: High resolution MEDLA images
                                  of taxol and HIV-1 protease, using
                                  additive electron density fragmentation
                                  principles and fuzzy set methods . . . . 203--234
                   Remi Chauvin   Chemical algebra. V: $G$-weighted
                                  distance extensions and metrics  . . . . 235--246
                   Remi Chauvin   Chemical algebra. VI: $G$-weighted
                                  metrics of non-compact groups: Group of
                                  translations in the Euclidean space  . . 247--264
                   Remi Chauvin   Chemical algebra. VII: Improper
                                  $G$-weighted metrics of non-compact
                                  groups: Lorentz group in the Minkowski
                                  space  . . . . . . . . . . . . . . . . . 265--283
             G. Póta and   
                     G. Stedman   An uncommon form of multistationarity in
                                  a realistic kinetic model  . . . . . . . 285--289
                    S. J. Cyvin   Algebraic solution for the numbers of
                                  staggered conformers of alkanes  . . . . 291--293

Journal of Mathematical Chemistry
Volume 17, Number 3, October, 1995

                       Jiabo Li   New algorithm for nonorthogonal ab
                                  initio valence bond calculations II:
                                  Subgraph-driven method . . . . . . . . . 295--321
                     A. Korobov   Heterogeneous chemical kinetics: A
                                  two-dimensional insight into sigmoid $
                                  \alpha - t $ curve . . . . . . . . . . . 323--333
              Tejwant Singh and   
         Rajinder Pal Singh and   
                  Jatinder Dutt   Mass transport to tubular electrodes . . 335--346
          G. Magela e Silva and   
       L. A. C. Malbouisson and   
                J. D. M. Vianna   Functional analysis concepts and
                                  Hartree--Fock instability conditions II:
                                  An analysis of the eight classes of
                                  solutions  . . . . . . . . . . . . . . . 347--355
               J. H. Merkin and   
                    M. A. Sadiq   Reaction-diffusion travelling waves in
                                  the acidic nitrate--ferroin reaction . . 357--375
László L. Stachó and   
    Miklós I. Bán   Theoretical implications involved in the
                                  DDRP method  . . . . . . . . . . . . . . 377--393
          Pancracio Palting and   
               Shan Tao Lai and   
                    Manzheng Fu   A general expression for matrix elements
                                  of reciprocal powers of the displacement
                                  coordinate $q$ in the harmonic
                                  oscillator basis . . . . . . . . . . . . 395--399
         Ariel Fernández   Towards an action principle governing
                                  biopolymer folding in vitro  . . . . . . 401--410


Journal of Mathematical Chemistry
Volume 18, Number 1, March, 1995

             Chengzhi Liang and   
                    Kurt Mislow   Topological chirality and achirality of
                                  links  . . . . . . . . . . . . . . . . . 1--24
                Frank Guarnieri   Theory and algorithms for mixed Monte
                                  Carlo-stochastic dynamics simulations    25--35
         Ramon Carbó and   
            Emili Besalú   Definition and quantum chemical
                                  applications of nested summation symbols
                                  and logical functions: Pedagogical
                                  artificial intelligence devices for
                                  formulae writing, sequential programming
                                  and automatic parallel implementation    37--72
                  I. Gutman and   
          I. Nagypál and   
                     I. Fishtik   General therodynamic identities for
                                  sensitivity coefficients . . . . . . . . 73--82
         Stanislav Jendrol' and   
                 Peter J. Owens   Longest cycles in generalized
                                  Buckminsterfullerene graphs  . . . . . . 83--90
                    F. P. Temme   On mixed vs. exclusively-bosonic $ \left
                                  \{ {\left [\tilde \lambda \right] \colon
                                  p \leq 2^2 } \right \} ({\rm SU2} \times
                                  S_n) $ irrep sets over $ \left \{ \tilde
                                  {\mathbb {H}}_v \right \} $ carrier
                                  subspaces, in the structure of $ ({\rm
                                  SU2} \times S_n \otimes ({\rm SU2}
                                  \times S_n)^+) $-derived Liouville space
                                  of NMR spin dynamics . . . . . . . . . . 91--95
                      Anonymous   Erratum  . . . . . . . . . . . . . . . . 97--98

Journal of Mathematical Chemistry
Volume 18, Number 2, September, 1995

             David P. White and   
             P. G. L. Leach and   
                Neil J. Coville   Solid angles 5. Chiral molecules and the
                                  case of face selectivity . . . . . . . . 99--114
                 Gordon G. Cash   A fast computer algorithm for finding
                                  the permanent of adjacency matrices  . . 115--119
  Myriam M. S. de Giambiagi and   
            Mario Giambiagi and   
   André Ricardo Fonseca   About a certain dynamical system in
                                  molecular configuration space  . . . . . 121--132
                  Paul G. Mezey   Rules on chiral and achiral molecular
                                  transformations. II  . . . . . . . . . . 133--139
                  Paul G. Mezey   Macromolecular density matrices and
                                  electron densities with adjustable
                                  nuclear geometries . . . . . . . . . . . 141--168
            Shigeru Arimoto and   
           Mark Spivakovsky and   
                Keith F. Taylor   Notes on the Asymptotic Linearity
                                  Theorems . . . . . . . . . . . . . . . . 169--177
            S. V. Bespalova and   
                  K. B. Tolpygo   On the problem of joint motion of
                                  interacting quantum and classical
                                  systems in the process of excitation
                                  transfer in a quantum subsystem  . . . . 179--195
  Francisco M. Fernández   Energy of a perturbed rigid rotor  . . . 197--208
            Yves G. Smeyers and   
                Maria Villa and   
                     Elba Ortiz   The non-rigid group for wagging and
                                  torsion modes in methvlamine . . . . . . 209--216
                 P. Bracken and   
                J. Cízek   Analytic calculation of second-order
                                  perturbatior energy for the
                                  one-dimensional Hubbard model in the
                                  Hückel limit  . . . . . . . . . . . . . . 217--235
            R. Carbó and   
           E. Besalú and   
                   Ll. Amat and   
                     X. Fradera   Quantum molecular similarity measures
                                  (QMSM) as a natural way leading towards
                                  a theoretical foundation of quantitative
                                  structure-properties relationships
                                  (QSPR) . . . . . . . . . . . . . . . . . 237--246
                    Anton Amann   Structure, dynamics and spectroscopy of
                                  single molecules: A challenge to quantum
                                  mechanics  . . . . . . . . . . . . . . . 247--308
                 J. Morales and   
                 G. Arreaga and   
          J. J. Peña and   
                  V. Gaftoi and   
                      G. Ovando   Kratzer potential algebraic
                                  representation and matrix elements
                                  recurrence formulae  . . . . . . . . . . 309--320
                    D. J. Klein   Similarity and dissimilarity in posets   321--348
                      N. Aquino   Asymptotic series for the quantum
                                  quartic anharmonic oscillator  . . . . . 349--357


Journal of Mathematical Chemistry
Volume 19, Number 1, October, 1996

              M. L. Ellzey, Jr.   Elements of irreducible tensorial
                                  matrices generated by finite groups with
                                  applications to ligand field
                                  Hamiltonians . . . . . . . . . . . . . . 1--13
               J. H. Merkin and   
                A. J. Poole and   
                S. K. Scott and   
             J. D. B. Smith and   
                 B. W. Thompson   Analysis of the bromate-ferroin clock
                                  reaction . . . . . . . . . . . . . . . . 15--32
          Lionello Pogliani and   
           Giuseppe Ranieri and   
                  Luigi Coppola   The geometry of thermodynamic potentials 33--41
                  S. M. Blinder   Canonical partition function for the
                                  hydrogen atom in curved space  . . . . . 43--46
            R. Carbó and   
           E. Besalú and   
                   Ll. Amat and   
                     X. Fradera   On quantum molecular similarity measures
                                  (QMSM) and indices (QMSI)  . . . . . . . 47--56
                     P. Bracken   Numerical techniques for investigating
                                  an excited state of the anisotropic
                                  Heisenberg model . . . . . . . . . . . . 57--74
                M. R. M. Witwit   The energy levels for a symmetric and
                                  nonsymmetric double-well potential in a
                                  two-dimensional system using the Hill
                                  determinant approach . . . . . . . . . . 75--86
               Kim K. Baldridge   Parallel implementation of semiempirical
                                  quantum methods for the Intel platforms  87--109

Journal of Mathematical Chemistry
Volume 19, Number 2, June, 1996

             Thomas Wilhelm and   
              Reinhart Heinrich   Mathematical analysis of the smallest
                                  chemical reaction system with Hopf
                                  bifurcation  . . . . . . . . . . . . . . 111--130
               Shan-Tao Lai and   
                 P. Palting and   
                  Ying-Nan Chiu   On the closed form of Wigner rotation
                                  matrix elements  . . . . . . . . . . . . 131--145
                   Remi Chauvin   Entropy in dissimilarity and chirality
                                  measures . . . . . . . . . . . . . . . . 147--174
     Sara M. T. de la Selva and   
        Eduardo Piña and   
             L. S. Garcia-Colin   On the simple Michaelis--Menten
                                  mechanism for chemical reactions . . . . 175--191
                  I. Gutman and   
              I. Nagypál   Mathematical foundation of the Hessian
                                  response equilibrium concept . . . . . . 193--203
                Miloslav Znojil   Jacobi polynomials and bound states  . . 205--213
                  Paul G. Mezey   Rules on chiral and achiral molecular
                                  transformations. II  . . . . . . . . . . 215--215

Journal of Mathematical Chemistry
Volume 19, Number 3, September, 1996

                   Paul Bracken   The quantum group $ {\rm SU}_q(2) $,
                                  quasitriangularity, and application to
                                  the $q$-rotator model  . . . . . . . . . 217--230
            Jun-ichi Aihara and   
          Tsuguhiro Tamaribuchi   Non-superaromatic reference for carbon
                                  nanotube as a quasi-one-dimensional $
                                  \pi $-bonding model for graphite . . . . 231--239
             Chengzhi Liang and   
               Corinne Cerf and   
                    Kurt Mislow   Specification of chirality for links and
                                  knots  . . . . . . . . . . . . . . . . . 241--263
               Robert Ponec and   
              Gleb Yuzhakov and   
                 Jaroslav Pecka   Similarity approach to chemical
                                  reactivity. Theoretical justification of
                                  the Hammond postulate  . . . . . . . . . 265--270
               J. H. Merkin and   
                A. J. Poole and   
                    S. K. Scott   Chemical front initiation and
                                  propagation in the bromate-ferroin
                                  reaction . . . . . . . . . . . . . . . . 271--287
                 John Avery and   
                 Frank Antonsen   Representation of cusps in a
                                  hyperspherical basis set . . . . . . . . 289--300
             Peter L. Simon and   
                  Henrik Farkas   Geometric theory of trigger waves --- A
                                  dynamical system approach  . . . . . . . 301--315
                    Li Ming and   
                   Chen Wenjian   The effect of Fe-doping on
                                  superconductivity of YBa$_2$Cu$_3$O$_y$  317--329
       Hernán Cendra and   
     Ariel Fernández and   
                 Walter Reartes   A geometric framework for polymer
                                  folding  . . . . . . . . . . . . . . . . 331--336
             Metin Demiralp and   
                Herschel Rabitz   Upper and lower bounds on the control
                                  field and the quality of achieved
                                  optimally controlled quantum molecular
                                  motion . . . . . . . . . . . . . . . . . 337--352
               G. J. Bowden and   
                   T. Heseltine   Some analytical results for ABC, ABCD,
                                  and XBCD coupled spin $ 1 / 2 $ systems.
                                  I  . . . . . . . . . . . . . . . . . . . 353--364
               G. J. Bowden and   
               T. Heseltine and   
               M. J. Prandolini   Some analytical results for ABC, ABCD,
                                  and XBCD coupled spin $ 1 / 2 $ systems.
                                  II . . . . . . . . . . . . . . . . . . . 365--374
                 Milan Randi\'c   Molecular bonding profiles . . . . . . . 375--392
István Kolossváry   Information theory and electron density  393--399
            Lawrence S. Bartell   On the limiting radial distribution
                                  function for hydrogenic orbitals . . . . 401--403


Journal of Mathematical Chemistry
Volume 20, Number 1, March, 1996

               Peter F. Stadler   Landscapes and their correlation
                                  functions  . . . . . . . . . . . . . . . 1--45
            Raimund J. Ober and   
                  E. Sally Ward   A system theoretic formulation of NMR
                                  experiments  . . . . . . . . . . . . . . 47--65
            Hideyuki Narumi and   
               Hideaki Kita and   
                   Haruo Hosoya   Expressions for the perfect matching
                                  numbers of cubic $ l \times m \times n $
                                  lattices and their asymptotic values . . 67--77
             Milan Randi\'c and   
          Daniel A. Morales and   
                 Oswaldo Araujo   Higher-order Fibonacci numbers . . . . . 79--94
     Ariel Fernández and   
            Gustavo Appignanesi   An action principle for biopolymer
                                  folding in vitro: A new perspective on
                                  the design of expeditiously-folded RNA
                                  molecules  . . . . . . . . . . . . . . . 95--116
              D. K. Hoffman and   
         T. L. Marchioro II and   
                Mark Arnold and   
              Youhong Huang and   
                    Wei Zhu and   
                Donald J. Kouri   Variational derivation and extensions of
                                  distributed approximating functionals    117--140
               Eduardo Hollauer   The permutational symmetry in matrix
                                  multiplications  . . . . . . . . . . . . 141--149
                  A. Molina and   
         J. González and   
                   C. Serna and   
                    F. Balibrea   Application of the superposition
                                  principle to the study of multistep
                                  electrode processes and systems with
                                  several components in
                                  chronopotentiometry with programmed
                                  current. Part I  . . . . . . . . . . . . 151--167
                  A. Molina and   
         J. González and   
                   C. Serna and   
                     L. Camacho   Application of the superposition
                                  principle to the study of a charge
                                  transfer reaction in cyclic
                                  chronopotentiometry. Part II . . . . . . 169--181
                   A. Jyoti and   
                    P. Chen and   
                  A. W. Neumann   Invariance of free energy against a
                                  shift of the dividing surface of
                                  arbitrary geometry . . . . . . . . . . . 183--192
          Lionello Pogliani and   
Mário N. Berberan-Santos and   
     José M. G. Martinho   Matrix and convolution methods in
                                  chemical kinetics  . . . . . . . . . . . 193--210
                Jianji Wang and   
                Shiming Cao and   
                        Ying Li   An algebraic solution for the numbers of
                                  staggered conformers of alkanes  . . . . 211--212

Journal of Mathematical Chemistry
Volume 20, Number 2, September, 1996

                M. A. Sadiq and   
                   J. H. Merkin   Travelling waves in an open cubic
                                  autocatalytic system . . . . . . . . . . 213--233
                      H. Taseli   An alternative series solution to the
                                  isotropic quartic oscillator in $N$
                                  dimensions . . . . . . . . . . . . . . . 235--245
   Ramon Carbó-Dorca and   
            Emili Besalú   Extending molecular similarity to energy
                                  surfaces: Boltzmann similarity measures
                                  and indices  . . . . . . . . . . . . . . 247--261
   Ramon Carbó-Dorca and   
            Emili Besalú   A procedure to obtain an accurate
                                  approximation to a full CI wavefunction  263--271
                M. R. M. Witwit   Application of the Hill determinant
                                  approach to several forms of potentials
                                  in two- and three-dimensional quantum
                                  systems  . . . . . . . . . . . . . . . . 273--283
               G. J. Bowden and   
               T. Heseltine and   
               M. J. Prandolini   Some analytical results for spin $ 1 / 2
                                  $ spin systems. III: The benzene ring    285--299
               Robert Ponec and   
              Gleb Yuzhakov and   
                 Jaroslav Pecka   Similarity approach to chemical
                                  reactivity. Torquoselectivity in
                                  pericyclic reactions . . . . . . . . . . 301--310
                    F. P. Temme   Determinable partitional modelling of
                                  Cayleyan $ {\rm SU}(m \leq n / 2) \times
                                  S_n \downarrow \mathcal {G}N M R $ spin
                                  symmetries of isotopomeric
                                  cage-clusters: Specific $ S_n \geq 12
                                  \supset \ldots {} \supset D_3 $ group
                                  chains, for $ S_n $-modules in high-$n$
                                  weak-branching limit . . . . . . . . . . 311--329
            Pavel Soldán   Extended molecular symmetry groups . . . 331--349
            Kathleen Kuhler and   
               Mark R. Hoffmann   A nondiagonal quasidegenerate
                                  fourth-order perturbation theory . . . . 351--364
               Ilie Fishtik and   
            Dan Geanâ and   
                Ivan Gutman and   
   István Nagypál   Joule--Thomson coefficient in systems
                                  with multiple chemical equilibria  . . . 365--384
                    R. Cruz and   
                   G. Rojas and   
                M. Quintero and   
                N. López   Cluster analysis from molecular
                                  similarity matrices using a non-linear
                                  neural network . . . . . . . . . . . . . 385--394
                     B. Jayaram   On the acceptance ratio in Monte Carlo
                                  computer simulations . . . . . . . . . . 395--397


Journal of Mathematical Chemistry
Volume 21, Number 1, June, 1997

            M. Defranceschi and   
                     C. Le Bris   Computing a molecule: A mathematical
                                  viewpoint  . . . . . . . . . . . . . . . 1--30
          Pancracio Palting and   
               Shan Tao Lai and   
              Ying Nan Chiu and   
         Jorge Ricardo Letelier   Harmonic oscillator tensors. III:
                                  Efficient algorithms for evaluating
                                  matrix elements of vibrational operators 31--49
              Piotr Piecuch and   
                   Josef Paldus   The convergence of energy expansions for
                                  molecules in electrostatic fields: A
                                  linear-response coupled-cluster study    51--70
             Lemont B. Kier and   
                 Chao-Kun Cheng   A cellular automata model of the soluble
                                  state  . . . . . . . . . . . . . . . . . 71--81
            Thierry Huillet and   
                Bernard Jeannet   A combinatorial approach to branched
                                  polymers' statistics . . . . . . . . . . 83--101
                      Tapon Roy   Calibrated nonparametric confidence sets 103--109
                    Ufuk Taneri   On the bifurcation analysis of a
                                  three-dimensional non-autonomous model
                                  of molecular systems . . . . . . . . . . 111--113

Journal of Mathematical Chemistry
Volume 21, Number 2, July, 1997

                Gary G. Hoffman   The rotational partition function for
                                  linear molecules . . . . . . . . . . . . 115--129
           J. P. S. Farinha and   
          J. M. G. Martinho and   
              Lionello Pogliani   Non-linear least-squares and chemical
                                  kinetics. An improved method to analyse
                                  monomer-excimer decay data . . . . . . . 131--139
                 Thomas Wieland   Combinatorics of combinatorial chemistry 141--157
               Jing-Yao Liu and   
             Chia-Chung Sun and   
                Xu-Ri Huang and   
                    Ze-Sheng Li   On geminals and symplectic bases in
                                  quantum chemistry  . . . . . . . . . . . 159--182
                M. M. Panja and   
                    B. Talukdar   Geometric phase from a combined
                                  evolution-operator-invariant technique   183--192
                J. Brunvoll and   
                S. J. Cyvin and   
                    B. N. Cyvin   Enumeration of tree-like octagonal
                                  systems  . . . . . . . . . . . . . . . . 193--196
                 Alan L. Mackay   On the regular heptagon  . . . . . . . . 197--209
J. M. García de la Vega and   
                  B. Miguel and   
              G. Ramírez   Two-center $p$-space integrals: diatomic
                                  molecular moments  . . . . . . . . . . . 211--222

Journal of Mathematical Chemistry
Volume 21, Number 3, October, 1997

               Igor Najfeld and   
               Timothy F. Havel   Embedding with a rigid substructure  . . 223--260
                D. J. Klein and   
                N. H. March and   
               A. K. Theophilou   Form of spinless first- and second-order
                                  density matrices in atoms and molecules,
                                  derived from eigenfunctions of $ S^2 $
                                  and $ S_z $  . . . . . . . . . . . . . . 261--272
                 J. Morales and   
          J. J. Peña and   
                  G. Ovando and   
                      V. Gaftoi   Algebraic approach to closed formulation
                                  of Kratzer potential integrals . . . . . 273--283
                     John Avery   Many-particle Sturmians  . . . . . . . . 285--304
            A. B. Finlayson and   
                   J. H. Merkin   Travelling waves in an open quadratic
                                  autocatalytic chemical system  . . . . . 305--321
                   Robert Ponec   Electron pairing and chemical bonds.
                                  Chemical structure, valences and
                                  structural similarities from the
                                  analysis of the Fermi holes  . . . . . . 323--333
                  Francis Temme   Book Review: \booktitleGroup Theory and
                                  Physics by S. Sternberg; published by
                                  Cambridge University Press . . . . . . . 335--337

Journal of Mathematical Chemistry
Volume 21, Number 4, December, 1997

                  J.-J. Max and   
              A. F. Antippa and   
                    C. Chapados   Boundary effects in the hexagonal
                                  packing of rod-like molecules inside a
                                  right circular cylindrical domain. I.
                                  The case of right circular
                                  spherocylindrical molecules  . . . . . . 339--358
                    T. E. Simos   Eighth order methods with minimal
                                  phase-lag for accurate computations for
                                  the elastic scattering phase-shift
                                  problem  . . . . . . . . . . . . . . . . 359--372
                    F. P. Temme   Some conjectures on $ S_n $-derived
                                  nuclear permutational (or NMR) spin
                                  encodings  . . . . . . . . . . . . . . . 373--384
                Marc R. Roussel   Forced-convergence iterative schemes for
                                  the approximation of invariant manifolds 385--393
        Emili Besalú and   
       Ramon Carbó-Dorca   An iterative method to solve the
                                  algebraic eigenvalue problem . . . . . . 395--412
                A. Sobaszek and   
                   L. Adamowicz   The influence of the transmission
                                  coefficient of the boundary on the
                                  diffusion in a solid surrounded by
                                  vacuum . . . . . . . . . . . . . . . . . 413--434


Journal of Mathematical Chemistry
Volume 22, Number 1, December, 1997

            Raimund J. Ober and   
                  E. Sally Ward   On the class of attainable
                                  multidimensional NMR spectra . . . . . . 1--10
                M. R. M. Witwit   Inner product perturbation theory:
                                  Energy levels of double-well potentials
                                  for two-dimensional quantum systems by
                                  expanding the potential functions around
                                  their minima . . . . . . . . . . . . . . 11--23
             David Reynolds and   
      Anthony J. Mulholland and   
            Jagannathan Gomatam   Calculation of chemical and phase
                                  equilibria via simulated annealing . . . 25--37
                   L. Szili and   
                 J. Tóth   On the origin of Turing instability  . . 39--53
              Liu Jingjiang and   
               Liu Fengying and   
                        Wang Yi   Modified rotation transformation method
                                  for the calculation of repulsion
                                  integrals  . . . . . . . . . . . . . . . 55--84
        Emili Besalú and   
       Ramon Carbó-Dorca   Rayleigh--Schrödinger perturbation
                                  theory: Practical implementation of
                                  matrix and vector formalisms and
                                  description of an heuristic sufficiency
                                  convergence criterion  . . . . . . . . . 85--95
    Antonio de Pádua and   
      J. A. de Miranda-Neto and   
       Isaac M. Xavier, Jr. and   
                Fernando Moraes   On the geometry and conformation of
                                  starburst dendrimers . . . . . . . . . . 97--106

Journal of Mathematical Chemistry
Volume 22, Number 2--4, December, 1997

              P. G. Logrado and   
                J. D. M. Vianna   Partitioning technique procedure
                                  revisited: Formalism and first
                                  application to atomic problems . . . . . 107--116
             M. E. Brewster and   
             George I. Fann and   
                    Zhiyun Yang   Wavelets for electronic structure
                                  calculations . . . . . . . . . . . . . . 117--142
       Ramon Carbó-Dorca   Fuzzy sets and Boolean tagged sets . . . 143--147
   Manuel Aguirre Téllez   The multiplicative product $ (\delta
                                  (x_0 - \left | x \right |) / \left | x
                                  \right |^{(n - 2) / 2})(\delta (x_0 +
                                  \left | x \right |) / \left | x \right
                                  |^{(n - 2) / 2}) $ . . . . . . . . . . . 149--160
                  Adam Gadomski   Description of the kinetics of a model
                                  tribopolymerization process  . . . . . . 161--183
               Michel Petitjean   About second kind continuous chirality
                                  measures. 1. Planar sets . . . . . . . . 185--201
             Boris N. Plakhutin   Coupling coefficients ``symmetry
                                  dilemma'' in the restricted open-shell
                                  Hartree--Fock method . . . . . . . . . . 203--233
        Michel Rérat and   
       Michel Gélize and   
                 Daniel Liotard   Topology of potential hypersurfaces of
                                  two, three and four dipoles interacting
                                  at long distances  . . . . . . . . . . . 235--247
         Britt Friis-Jensen and   
            David L. Cooper and   
                   Sten Rettrup   Normalization of projected spin
                                  eigenfunctions . . . . . . . . . . . . . 249--254
              Daniel A. Morales   A proof of the equivalence of two
                                  formulas for the matrix elements of the
                                  Morse potential  . . . . . . . . . . . . 255--257


Journal of Mathematical Chemistry
Volume 23, Number 1--2, April, 1998

                  Paul G. Mezey   Editorial foreword . . . . . . . . . . . 1--1
                  R. G. Woolley   Is there a quantum definition of a
                                  molecule?  . . . . . . . . . . . . . . . 3--12
                Yariv Pinto and   
               Yair Salomon and   
                    David Avnir   Properties and classification of
                                  enantiomerization pathways . . . . . . . 13--29
                   Erica Flapan   Topological rubber gloves  . . . . . . . 31--49
              Neil L. Allan and   
                David L. Cooper   Quantum molecular similarity via
                                  momentum-space indices . . . . . . . . . 51--60
            P. Cassam-Chena\"\i   A mathematical definition of molecular
                                  structure --- open problem . . . . . . . 61--63
                  Paul G. Mezey   Generalized chirality and symmetry
                                  deficiency . . . . . . . . . . . . . . . 65--84
                   Robert Ponec   Electron pairing and chemical bonds.
                                  Molecular structure from the analysis of
                                  pair densities and related quantities    85--103
    Thorstein Thorsteinsson and   
                David L. Cooper   Nonorthogonal weights of modern VB
                                  wavefunctions. Implementation and
                                  applications within CASVB  . . . . . . . 105--106
                Jacek Karwowski   Symmetric-group-based methods in quantum
                                  chemistry  . . . . . . . . . . . . . . . 127--149
                E. C. Kirby and   
                 Tomaz Pisanski   Aspects of topology, genus and isomerism
                                  in closed $3$-valent networks  . . . . . 151--167
                   Haruo Hosoya   Pascal's triangle, non-adjacent numbers,
                                  and $D$-dimensional atomic orbitals  . . 169--178
                D. J. Klein and   
                      H.-Y. Zhu   Distances and volumina for graphs  . . . 179--195
                     R. B. King   Some aspects of the symmetry and
                                  topology of possible carbon allotrope
                                  structures . . . . . . . . . . . . . . . 197--227
              Juan J. Perez and   
             Marta Filizola and   
       Maria Cariten\`\i-Farina   A general procedure for building the
                                  transmembrane domains of G-protein
                                  coupled receptors  . . . . . . . . . . . 229--238
                   D. Vives and   
                  J. Armero and   
            A. Martí and   
  L. Ramírez-Piscina and   
              J. Casademunt and   
               J. M. Sancho and   
               F. Sagués   Propagating fronts in reaction-diffusion
                                  systems  . . . . . . . . . . . . . . . . 239--260

Journal of Mathematical Chemistry
Volume 23, Number 3--4, June, 1998

           David B. Redmond and   
           Charles M. Quinn and   
              Patrick W. Fowler   A symmetrized Hückel analysis of carbon
                                  cages of $ I_h $ point group symmetry    263--276
                  A. Molina and   
         J. González and   
   M. López-Tenés   Application of the superposition
                                  principle to the study of CEC, CE, EC
                                  and catalytic mechanisms in cyclic
                                  chronopotentiometry. Part III  . . . . . 277--296
              Tejwant Singh and   
         Rajinder Pal Singh and   
                  Jatinder Dutt   Mass transfer to tubular electrodes.
                                  Part 2: CE process . . . . . . . . . . . 297--308
              Eric Canc\`es and   
             Benedetta Mennucci   New applications of integral equations
                                  methods for solvation continuum models:
                                  ionic solutions and liquid crystals  . . 309--326
               David Robert and   
       Ramon Carbó-Dorca   On the extension of quantum similarity
                                  to atomic nuclei: Nuclear quantum
                                  similarity . . . . . . . . . . . . . . . 327--351
       Ramon Carbó-Dorca   Tagged sets, convex sets and quantum
                                  similarity measures  . . . . . . . . . . 353--364
       Ramon Carbó-Dorca   On the statistical interpretation of
                                  density functions: Atomic shell
                                  approximation, convex sets, discrete
                                  quantum chemical molecular
                                  representations, diagonal vector spaces
                                  and related problems . . . . . . . . . . 365--375
               David C. Whitley   Van der Waals surface graphs and
                                  molecular shape  . . . . . . . . . . . . 377--397
                    Mario Piris   Analytic gradients in the improved BCS
                                  method . . . . . . . . . . . . . . . . . 399--404
                C. Sarasola and   
               J. M. Elorza and   
                   J. M. Ugalde   Closed-form analytical solutions for the
                                  calculation of the moments of the
                                  molecular electron density . . . . . . . 405--414
                   Tibor Tarnai   Note on packings in Grassmannian space $
                                  G(3, 1) $  . . . . . . . . . . . . . . . 415--419
                  Ching-Wan Lam   A mathematical relationship between the
                                  number of isomers of alkenes and
                                  alkynes: a result established from the
                                  enumeration of isomers of alkenes from
                                  alkyl biradicals . . . . . . . . . . . . 421--428
             Patrick Le Guennec   On the concept of chirality  . . . . . . 429--439


Journal of Mathematical Chemistry
Volume 24, Number 1--3, August, 1998

                   Gyula Farkas   Local controllability of reactions . . . 1--14
                   Gyula Farkas   On local observability of chemical
                                  systems  . . . . . . . . . . . . . . . . 15--22
                    T. E. Simos   Some embedded modified Runge--Kutta
                                  methods for the numerical solution of
                                  some specific Schrödinger equations . . . 23--37
              H. Hornburger and   
          Geerd H. F. Diercksen   Derivation of closed analytical
                                  expressions for Rosen--Morse
                                  Franck--Condon factors . . . . . . . . . 39--60
               John Knopfmacher   Asymptotic isomer enumeration in
                                  chemistry  . . . . . . . . . . . . . . . 61--69
                    P. Grimaldi   Global methods in classical mechanics.
                                  The Euler--Lagrange equation . . . . . . 71--78
              A. F. Antippa and   
                  J.-J. Max and   
                    C. Chapados   Boundary effects in the hexagonal
                                  packing of rod-like molecules inside a
                                  right circular cylindrical domain. II:
                                  The case of inclined spherocylindrical
                                  molecules  . . . . . . . . . . . . . . . 79--108
     Krystyna T. Bali\'nska and   
       Graham R. Brightwell and   
               Louis V. Quintas   Graphs whose vertices are graphs with
                                  bounded degree: Distance problems  . . . 109--121
               Shan-Tao Lai and   
          Pancracio Palting and   
              Ying-Nan Chiu and   
          Harris J. Silverstone   On the summations involving Wigner
                                  rotation matrix elements . . . . . . . . 123--132
                    F. P. Temme   Multicolour models of natural embedding
                                  for $ {\rm SU}(2 \geq m \geq 4) \times
                                  {\rm S}_{10} \downarrow D_5 $ NMR spin
                                  symmetry: Determinacy of nuclear spin
                                  weights for $ (1, 12)$-car$^{-11}$
                                  B-boranes  . . . . . . . . . . . . . . . 133--142
                    F. P. Temme   $n$ Body democratic recoupling and role
                                  of Schur Fn. products on $ S_n$, a NMR
                                  dual-group view pertinent to
                                  coherence-transfer . . . . . . . . . . . 143--153
               Visnja Simek and   
         Tomislav P. Zivkovi\'c   Ground-state properties of benzenoid
                                  hydrocarbons by simple bond orbital
                                  resonance theory approach  . . . . . . . 155--168
                     John Avery   A formula for angular and hyperangular
                                  integration  . . . . . . . . . . . . . . 169--174
                 John Avery and   
                 Frank Antonsen   Relativistic Sturmian basis functions    175--185
                Thierry Huillet   Statistics of aggregates . . . . . . . . 187--221
              William D. Harris   On electrostatic chiral discrimination   223--231
           M. Belén Ruiz   A partially projected wave function for
                                  radicals . . . . . . . . . . . . . . . . 233--248
                M. R. M. Witwit   Application of the inner product
                                  technique to double-well potentials in
                                  three-dimensional quantum systems by
                                  expanding the potential functions around
                                  their minima . . . . . . . . . . . . . . 249--259
                     A. Korobov   Geometrical probabilities in
                                  heterogeneous kinetics: 60 years of side
                                  by side development  . . . . . . . . . . 261--290

Journal of Mathematical Chemistry
Volume 24, Number 4, December, 1998

                   Ki Leung and   
          Bernie D. Shizgal and   
                      Heli Chen   The Quadrature Discretization Method
                                  (QDM) in comparison with other numerical
                                  methods of solution of the
                                  Fokker--Planck equation for electron
                                  thermalization . . . . . . . . . . . . . 291--319
                  Heli Chen and   
              Bernie D. Shizgal   The Quadrature Discretization Method
                                  (QDM) in the solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 321--343
                 Milan Randi\'c   On structural ordering and branching of
                                  acyclic saturated hydrocarbons . . . . . 345--358
              Tomislav Dosli\'c   On lower bounds of number of perfect
                                  matchings in fullerene graphs  . . . . . 359--364
                    Dieter Erle   A boundedness theorem with application
                                  to oscillation of autocatalytic chemical
                                  reactions  . . . . . . . . . . . . . . . 365--378
               Erica Flapan and   
                   Brian Forcum   Intrinsic chirality of triple-layered
                                  naphthalenophane and related graphs  . . 379--388
                      Anonymous   Erratum  . . . . . . . . . . . . . . . . 389--389


Journal of Mathematical Chemistry
Volume 25, Number 1, March, 1999

               Au Chin Tang and   
                  Wei Cheng and   
                 An Yong Li and   
                    Qian Shu Li   NMR spectra of icosahedral (I$_h$ and I)
                                  fullerenes . . . . . . . . . . . . . . . 1--6
             Maria Jaworska and   
                 Piotr Lodowski   Symmetry breaking in HF wave functions
                                  of Fe(CH)$_2$  . . . . . . . . . . . . . 7--21
               Ivan Baraldi and   
                Carla Fiori and   
                 Davide Vanossi   On the cycle index of point groups . . . 23--30
          István Szalkai   Handling multicomponent systems in $
                                  \mathbb {R}^n $. I: Theoretical results  31--46
                    Mario Piris   A generalized self-consistent-field
                                  procedure in the improved BCS theory . . 47--54
                 Gyula Tasi and   
                 Fujio Mizukami   Quantum algebraic-combinatoric study of
                                  the conformational properties of
                                  $n$-alkanes. I . . . . . . . . . . . . . 55--64
                    T. E. Simos   A family of P-stable
                                  exponentially-fitted methods for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 65--84
        Josep Maria Anglada and   
        Emili Besalú and   
         Josep Maria Bofill and   
                    Jaime Rubio   Another way to implement the Powell
                                  formula for updating Hessian matrices
                                  related to transition structures . . . . 85--92
            G. P. Arrighini and   
                 N. Durante and   
                    C. Guidotti   The method of Airy averaging and some
                                  useful applications  . . . . . . . . . . 93--103
                C. M. Evans and   
                  G. L. Findley   A new transformation for the
                                  Lotka--Volterra problem  . . . . . . . . 105--110
               J. H. Merkin and   
     H. Sevcíková   Reaction fronts in an ionic
                                  autocatalytic system with an applied
                                  electric field . . . . . . . . . . . . . 111--132

Journal of Mathematical Chemistry
Volume 25, Number 2--3, June, 1999

                  Koh-hei Nitta   A graph-theoretical approach to
                                  statistics and dynamics of tree-like
                                  molecules  . . . . . . . . . . . . . . . 133--143
                      Huaien Li   On minimal energy ordering of acyclic
                                  conjugated molecules . . . . . . . . . . 145--169
          M. Aguirre Tellez and   
              C. G. Bollini and   
                    M. C. Rocca   On the product of distributions with
                                  coincident point singularities . . . . . 171--180
                C. M. Evans and   
                  G. L. Findley   Analytic solutions to a family of
                                  Lotka--Volterra related differential
                                  equations  . . . . . . . . . . . . . . . 181--189
     Á. Vibók and   
            G. J. Halász   Generalization of the fourth-order
                                  Hylleraas functional for the case of a
                                  non-Hermitian unperturbed Hamiltonian    191--195
            Herschel Rabitz and   
              Ömer F. Alis   General foundations of high-dimensional
                                  model representations  . . . . . . . . . 197--233
              D. K. Hoffman and   
                  G. W. Wei and   
                    D. J. Kouri   A variational approach to the
                                  Dirichlet--Gabor wavelet-distributed
                                  approximating functional . . . . . . . . 235--244
                 R. Baronas and   
              F. Ivanauskas and   
                       J. Kulys   Modelling a biosensor based on the
                                  heterogeneous microreactor . . . . . . . 245--252
                  K. D. Sen and   
        Emili Besalú and   
       Ramon Carbó-Dorca   A naive look on the Hohenberg--Kohn
                                  theorem  . . . . . . . . . . . . . . . . 253--257
                 H. Safouhi and   
                   P. E. Hoggan   Non-linear transformations for rapid and
                                  efficient evaluation of multicenter
                                  bielectronic integrals over $B$
                                  functions  . . . . . . . . . . . . . . . 259--280
        P. R. Parthasarathy and   
                  S. Dharmaraja   Exact transient solutions of kinetics of
                                  first-order reactions with end effects   281--294
               Yair Salomon and   
                    David Avnir   Continuous symmetry measures: A note in
                                  proof of the folding/unfolding method    295--308
          J. H. Summerfield and   
                   J. G. Loeser   Dimension-dependent two-electron
                                  Hamiltonian matrix elements  . . . . . . 309--315
            L. M. Gaggero-Sager   Exchange and correlation in the
                                  Thomas--Fermi approximation  . . . . . . 317--320

Journal of Mathematical Chemistry
Volume 25, Number 4, September, 1999

                  A. Grassi and   
             G. M. Lombardo and   
                     A. Raudino   Discretization of unknown functions: A
                                  new method to solve partial differential
                                  equations with mixed boundary conditions 321--344
                F. Iachello and   
                A. Del Sol Mesa   A class of exactly solvable matrix
                                  models . . . . . . . . . . . . . . . . . 345--363
                     A. Korobov   Solid state reaction kinetics: Structure
                                  of the simplest rate-time curve in terms
                                  of random tessellations  . . . . . . . . 365--382
                   A. Frank and   
                   R. Lemus and   
         F. Pérez-Bernal   Algebraic derivation of Franck--Condon
                                  overlap integrals for diatomic molecules 383--391
                 J. Tóth   Multistationarity is neither necessary
                                  nor sufficient to oscillations . . . . . 393--397


Journal of Mathematical Chemistry
Volume 26, Number 1--3, October, 1999

              P. G. Logrado and   
                J. D. M. Vianna   Partitioning technique procedure
                                  revisited II: Application to the Stark
                                  and Zeeman problems in light atoms . . . 1--13
            Raimund J. Ober and   
      Viswanath Ramakrishna and   
                  E. Sally Ward   On the role of reachability and
                                  observability in NMR experimentation . . 15--26
               S. A. Suslov and   
                  A. J. Roberts   Advection-dispersion in symmetric
                                  field-flow fractionation channels  . . . 27--46
               S. J. Preece and   
              J. Billingham and   
                     A. C. King   Chemical clock reactions: The effect of
                                  precursor consumption  . . . . . . . . . 47--73
            Victor Anisimov and   
                   Piotr Paneth   ISOEFF98. A program for studies of
                                  isotope effects using Hessian
                                  modifications  . . . . . . . . . . . . . 75--86
László L. Stachó and   
Gyula Dömötör and   
    Miklós I. Bán   Misgivings from the theoretical
                                  foundation of the path-following
                                  procedures based on the Elber--Karplus
                                  strategy . . . . . . . . . . . . . . . . 87--94
           John Knopfmacher and   
              Richard Warlimont   Asymptotic isomer enumeration in
                                  chemistry. II  . . . . . . . . . . . . . 95--99
               A. Ceulemans and   
                 R. B. King and   
                S. A. Bovin and   
               K. M. Rogers and   
                  A. Troisi and   
                   P. W. Fowler   The heptakisoctahedral group and its
                                  relevance to carbon allotropes with
                                  negative curvature . . . . . . . . . . . 101--123
             Robert W. Harrison   A self-assembling neural network for
                                  modeling polymers  . . . . . . . . . . . 125--137
Zoltán Szakács and   
      Béla Noszál   Protonation microequilibrium treatment
                                  of polybasic compounds with any possible
                                  symmetry . . . . . . . . . . . . . . . . 139--155
                Miloslav Znojil   Bound states in the Kratzer plus
                                  polynomial potentials and the new form
                                  of perturbation theory . . . . . . . . . 157--172
                 I. R. Peterson   The distortion and tilt parameters for a
                                  $2$D Bravais lattice of rod-like
                                  molecules  . . . . . . . . . . . . . . . 173--177
                  A. F. Antippa   Tilting operator for phospholipidic
                                  molecular domains at the liquid-gas
                                  interface  . . . . . . . . . . . . . . . 179--196
                  M. Groppi and   
                       G. Spiga   Kinetic approach to chemical reactions
                                  and inelastic transitions in a rarefied
                                  gas  . . . . . . . . . . . . . . . . . . 197--219
              Shiliang Ding and   
                 Xizhang Yi and   
                 Daren Guan and   
                Benhui Yang and   
                   Jiazhong Sun   An application of the dynamical Lie
                                  algebraic method to energy transfer of
                                  the collinear scattering system AB+CD    221--232
               R. K. Nesbet and   
                       R. Colle   Does an exact local exchange potential
                                  exist? . . . . . . . . . . . . . . . . . 233--242
      Rados\law Szmytkowski and   
           Czes\law Szmytkowski   Scalar wave diffraction from zero-range
                                  scatterers . . . . . . . . . . . . . . . 243--254
Mário N. Berberan-Santos and   
              Lionello Pogliani   Two alternative derivations of
                                  Bridgman's theorem . . . . . . . . . . . 255--261
                 Alan H. Lipkus   A proof of the triangle inequality for
                                  the Tanimoto distance  . . . . . . . . . 263--265
                       F. Temme   Book reviews . . . . . . . . . . . . . . 267--269

Journal of Mathematical Chemistry
Volume 26, Number 4, December, 1999

             Olivier Bokanowski   New $N$-representability results with
                                  symmetry in molecular quantum chemistry  271--296
              E. H. Twizell and   
                A. B. Gumel and   
                         Q. Cao   A second-order scheme for the
                                  ``Brusselator'' reaction--diffusion
                                  system . . . . . . . . . . . . . . . . . 297--316
               Ljupco Pejov and   
              Gjorgji Ivanovski   A perturbation theoretical method for
                                  determination of the dependence of the
                                  intramolecular X--H(D) potential on the
                                  hydrogen bond strength . . . . . . . . . 317--326
                 G. Avdelas and   
                    T. E. Simos   Embedded eighth order methods for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 327--341


Journal of Mathematical Chemistry
Volume 27, Number 1--2, October, 2000

              Manuel A. Aguirre   On some multiplicative product of $k$th
                                  derivative of Dirac's delta in $ x_0 +
                                  |x|$ and $ x_0 - |x|$  . . . . . . . . . 1--12
                   J. Pecka and   
                       R. Ponec   Simple analytical method for evaluation
                                  of statistical importance of
                                  correlations in QSAR studies . . . . . . 13--22
                  Ching-Wan Lam   Enumeration of isomers of
                                  alkylcyclopropanes by means of alkyl
                                  1,1-biradicals . . . . . . . . . . . . . 23--25
                M. G. Marmorino   Incompleteness of atomic and molecular
                                  eigenfunctions . . . . . . . . . . . . . 27--30
                M. G. Marmorino   An exactly soluble base problem for
                                  atomic systems . . . . . . . . . . . . . 31--34
       Ramon Carbó-Dorca   A discussion on an apparent MO theory
                                  paradox  . . . . . . . . . . . . . . . . 35--41
                 John Avery and   
                Cecilia Coletti   Generalized Sturmians applied to atoms
                                  in strong external fields  . . . . . . . 43--51
                  Paul G. Mezey   The T-hull approach to transformations
                                  of discrete point sets to continua and
                                  shape transformations between
                                  discontinuous objects using alpha-hulls  53--60
                  Paul G. Mezey   Shape-similarity relations based on
                                  topological resolution . . . . . . . . . 61--69
                 Thomas Wilhelm   Chemical systems consisting only of
                                  elementary steps- a paradigma for
                                  nonlinear behavior . . . . . . . . . . . 71--88
                  D. Siegel and   
                     D. MacLean   Global stability of complex balanced
                                  mechanisms . . . . . . . . . . . . . . . 89--110
                    F. P. Temme   On $ {\rm SU}(2) \times \mathcal {S}_{n
                                  \geq 12} $ dual-group tensorial sets and
                                  carrier spaces in the multiple invariant
                                  physics of multiquantum NMR. I. $ k > n /
                                  2 $ rank maximal $ \left \{ { \sum
                                  \nolimits_v T^k(v) \to \sum
                                  \nolimits_{\tilde \lambda '} \Lambda_{
                                  \cdot, \tilde \lambda '} [\tilde \lambda
                                  ']} \right \} $ Liouvillian $ \overline
                                  {\rm U} \times \mathcal {P} $ mappings   111--130
                    F. P. Temme   On $ {\rm SU}(2) \times \mathcal {S}_{n
                                  \geq 12} $ dual-group tensorial sets and
                                  carrier spaces in the multiple invariant
                                  physics of multiquantum NMR. II. $ \{
                                  \mathcal {S}_{12} \supset \cdots \supset
                                  [2] \mathcal {S}_2 \} $ pathways from
                                  Yamanouchi monomial reductions as $
                                  [A]_{12} $ democratic $ S_n $-invariant
                                  labels . . . . . . . . . . . . . . . . . 131--154
                 S. Schnell and   
                     C. Mendoza   Enzyme kinetics of multiple alternative
                                  substrates . . . . . . . . . . . . . . . 155--170
             E. Sáez and   
    I. Szántó and   
                    A. Monsalve   Three limit cycles for a first-order
                                  exothermic chemical reaction in a
                                  continuous stirred-tank reactor  . . . . 171--182

Journal of Mathematical Chemistry
Volume 27, Number 3, November, 2000

         Rajinder Pal Singh and   
              Tejwant Singh and   
              Jatinder Dutt and   
                       Atamjyot   Mass transfer to tubular electrodes: ECE
                                  process  . . . . . . . . . . . . . . . . 183--190
                 Gyula Tasi and   
             Fujio Mizukami and   
          József Csontos   Quantum algebraic-combinatoric study of
                                  the conformational properties of
                                  $n$-alkanes. II  . . . . . . . . . . . . 191--199
             Oswaldo Araujo and   
                      Juan Rada   Randi\'c index and lexicographic order   201--212
                Shigeru Arimoto   Magic Mountain and Devil's Staircase
                                  swapping problems  . . . . . . . . . . . 213--217
                      Hong Qian   The mathematical theory of molecular
                                  motor movement and chemomechanical
                                  energy transduction  . . . . . . . . . . 219--234
                   Mihaly Mezei   A novel approach to the calculation of
                                  the free energy due to molecular
                                  flexibility  . . . . . . . . . . . . . . 235--250

Journal of Mathematical Chemistry
Volume 27, Number 4, December, 2000

                   Gang Bao and   
              Xiaohong Fang and   
                Weihong Tan and   
                        Tri Van   Evanescent energy in square and circular
                                  fibers . . . . . . . . . . . . . . . . . 251--265
                 R. Baronas and   
              F. Ivanauskas and   
                     A. Survila   Simulation of electrochemical behavior
                                  of partially blocked electrodes under
                                  linear potential sweep conditions  . . . 267--278
                     John Avery   The generalized Sturmian method and
                                  inelastic scattering of fast electrons   279--292
                    Dieter Erle   Nonoscillation in closed reversible
                                  chemical systems . . . . . . . . . . . . 293--302
               Michael Soss and   
          Godfried T. Toussaint   Geometric and computational aspects of
                                  polymer reconfiguration  . . . . . . . . 303--318
             Lian-zhu Zhang and   
                    Fu-ji Zhang   Extremal hexagonal chains concerning
                                  $k$-matchings and $k$-independent sets   319--329
                      Yung Park   Effect of transient condensation of a
                                  supercooled gas on the size distribution
                                  of new-phase particles . . . . . . . . . 331--342
                    T. E. Simos   A new explicit Bessel and Neumann fitted
                                  eighth algebraic order method for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 343--356
       Ramon Carbó-Dorca   Quantum QSAR and the eigensystems of
                                  stochastic quantum similarity matrices   357--376
          István Szalkai   On valuation operators in stoichiometry
                                  and in reaction syntheses  . . . . . . . 377--386
                      Anonymous   Author index . . . . . . . . . . . . . . 387--389


Journal of Mathematical Chemistry
Volume 28, Number 1--3, December, 2000

          István Szalkai   A new general algorithmic method in
                                  reaction syntheses using linear algebra  1--34
                Shukla Basu and   
             R. K. Roychoudhury   The coherent state and anharmonic
                                  oscillator description of nonlinear
                                  oscillation  . . . . . . . . . . . . . . 35--41
               J. H. Merkin and   
                P. L. Simon and   
                 Z. Noszticzius   Analysis of the electrolyte diode.
                                  Electro-diffusion and chemical reaction
                                  within a hydrogel reactor  . . . . . . . 43--58
                Albert Bach and   
                 Lluis Amat and   
        Emili Besalú and   
   Ramon Carbó-Dorca and   
                   Robert Ponec   Quantum chemistry, Sobolev spaces and
                                  SCF  . . . . . . . . . . . . . . . . . . 59--70
       Carlos Guido Bollini and   
            Mario Giambiagi and   
  Myriam Segre de Giambiagi and   
    Aloysio Paiva de Figueiredo   Graphical linking of a MO multicenter
                                  bond index to VB structures  . . . . . . 71--81
              R. Bochicchio and   
                    L. Lain and   
                   A. Torre and   
                       R. Ponec   Topological population analysis from
                                  higher order densities. I. Hartree--Fock
                                  level  . . . . . . . . . . . . . . . . . 83--90
               Wolfgang Kliesch   Potential energy surface exploration
                                  with equilibrial paths. Part I: Theory   91--112
               Wolfgang Kliesch   Potential energy surface exploration
                                  with equilibrial paths. Part II:
                                  Application  . . . . . . . . . . . . . . 113--138
                Miloslav Znojil   Perturbation method with triangular
                                  propagators and anharmonicities of
                                  intermediate strength  . . . . . . . . . 139--167
              Ray Hefferlin and   
                 Jonathan Knoll   On the use of Laplace's equation for
                                  global predictions of internuclear
                                  separation and dissociation energy . . . 169--192
                Yujun Zheng and   
                  Shiliang Ding   Potential energy surface for linear
                                  triatomic molecules: An algebraic method 193--200
             Rafael Almeida and   
        Helena Diez y Riega and   
              Daniel A. Morales   On the Hellmann--Feynman theorem and the
                                  corrections to the energy in the
                                  Rayleigh--Schrödinger perturbation theory 201--206
         Á. Vibók   Generalization of the Hylleraas
                                  functional for calculating BSSE-free
                                  intermolecular interactions: further
                                  considerations . . . . . . . . . . . . . 207--212
                   Hang Tan and   
                Muzhen Liao and   
                   Yan Wang and   
                  Guoshi Wu and   
             K. Balasubramanian   A flexible correlation group table (CGT)
                                  method for the relativistic
                                  configuration interaction wavefunctions  213--239
László L. Stachó and   
Gyula Dömötör and   
    Miklós I. Bán   On the reaction path concept of Olender
                                  and Elber  . . . . . . . . . . . . . . . 241--246
                Benhui Yang and   
                   Keli Han and   
                  Shiliang Ding   Application of dynamical Lie algebraic
                                  method to atom-diatomic molecule
                                  scattering . . . . . . . . . . . . . . . 247--266
         Tomislav P. Zivkovi\'c   Vibrational isotope effect by the low
                                  rank perturbation method . . . . . . . . 267--285
         Tomislav P. Zivkovi\'c   Vibrational isotope effect of linear and
                                  planar molecules: Deuterated
                                  bromoethenes . . . . . . . . . . . . . . 287--312
          Lionello Pogliani and   
       Mario N. Berberan-Santos   Constantin Carathéodory and the axiomatic
                                  thermodynamics . . . . . . . . . . . . . 313--324

Journal of Mathematical Chemistry
Volume 28, Number 4, December, 2000

                A. B. Gumel and   
             W. F. Langford and   
              E. H. Twizell and   
                          J. Wu   Numerical solutions for a coupled
                                  non-linear oscillator  . . . . . . . . . 325--340
              Elvira Romera and   
            Toshikatsu Koga and   
             Juan Carlos Angulo   Upper bounds to atomic electron
                                  densities in position and momentum
                                  spaces . . . . . . . . . . . . . . . . . 341--351
                H. S. Sidhu and   
               M. I. Nelson and   
               G. N. Mercer and   
                    R. O. Weber   Dynamical analysis of an elementary $ X
                                  + Y \to P $ reaction in a continuously
                                  stirred tank reactor . . . . . . . . . . 353--375
              Y. G. Smeyers and   
                       M. Villa   A study of the internal dynamics of
                                  trimethylamine by means of the non-rigid
                                  group theory . . . . . . . . . . . . . . 377--388
          Sharene D. Bungay and   
             Raymond A. Poirier   Optimization of transition state
                                  structures using genetic algorithms  . . 389--401
                      Anonymous   Author index . . . . . . . . . . . . . . 403--405


Journal of Mathematical Chemistry
Volume 29, Number 1, January, 2001

                      Anonymous   Editorial Foreword . . . . . . . . . . . 1--1
   Ramon Carbó-Dorca and   
            Emili Besalú   Extended Sobolev and Hilbert spaces and
                                  approximate stationary solutions for
                                  electronic systems within the non-linear
                                  Schrödinger equation  . . . . . . . . . . 3--20
        Emili Besalú and   
                    Leonel Vera   On the optimal selection of principal
                                  components in QSPR studies . . . . . . . 21--34
                      Yung Park   Diffusion of a passive impurity through
                                  a porous media: fractal model in an
                                  unsaturated medium . . . . . . . . . . . 35--40
           E. Besalú and   
      R. Carbó-Dorca and   
                   J. Karwowski   Generalized one-electron spin functions
                                  and self-similarity measures . . . . . . 41--45
               Laurence Leherte   Application of multiresolution analyses
                                  to electron density maps of small
                                  molecules: Critical point
                                  representations for molecular
                                  superposition  . . . . . . . . . . . . . 47--83

Journal of Mathematical Chemistry
Volume 29, Number 2, February, 2001

                     Troy Story   Dynamics on Differential One-Forms . . . 85--96
                  A. Ya. Tsaune   Nonrelativistic Hamiltonian in the
                                  Principal Central Moving Axes for
                                  $N$-particle System  . . . . . . . . . . 97--125
          Ömer F. Alis and   
                Herschel Rabitz   Efficient Implementation of High
                                  Dimensional Model Representations  . . . 127--142
       Padmakar V. Khadikar and   
          Prabhakar P. Kale and   
        Narian V. Deshpande and   
            Sneha Karmarkar and   
               Vijay K. Agrawal   Novel PI Indices of Hexagonal Chains . . 143--150
                    J. P. Braga   Numerical Comparison Between Tikhonov
                                  Regularization and Singular Value
                                  Decomposition Methods Using the L Curve
                                  Criterion  . . . . . . . . . . . . . . . 151--161

Journal of Mathematical Chemistry
Volume 29, Number 3, April, 2001

                    Yaoping Hou   Unicyclic Graphs with Minimal Energy . . 163--168
        L. L. Stachó and   
 Gy. Dömötör and   
               M. I. Bán   ``Comment'' on the Reply to the Paper
                                  ``On the Elber--Karplus Reaction
                                  Path-Following Method and Related
                                  Procedures'' . . . . . . . . . . . . . . 169--175
               J. V. Aguiar and   
                    T. E. Simos   A Family of P-stable Eighth Algebraic
                                  Order Methods with Exponential Fitting
                                  Facilities . . . . . . . . . . . . . . . 177--189
            Emili Besalú   Fast Computation of Cross-Validated
                                  Properties in Full Linear
                                  Leave--Many-Out Procedures . . . . . . . 191--204
                      Yung Park   Kinetics on Diffusion-Controlled
                                  Reactions in a Fractal Medium  . . . . . 205--211
                 Hassan Safouhi   Numerical Evaluation of Three-Center
                                  Two-Electron Coulomb and Hybrid
                                  Integrals Over $B$ Functions Using the
                                  HD and $ H \overline D$ Methods and
                                  Convergence Properties . . . . . . . . . 213--232
                    D. J. Klein   Review of \booktitleApplied Finite Group
                                  Actions by A. Kerber (Springer, Berlin,
                                  1999)  . . . . . . . . . . . . . . . . . 233--234

Journal of Mathematical Chemistry
Volume 29, Number 4, May, 2001

         Stanislav Jendrol' and   
         Marián Trenkler   More Icosahedral Fulleroids  . . . . . . 235--243
             Peter L. Simon and   
             Elizabeth Hild and   
                  Henrik Farkas   Relationships Between the Discriminant
                                  Curve and Other Bifurcation Diagrams . . 245--265
               Anjana Sinha and   
                   Nivedita Nag   SWKB Approach to Confined Isospectral
                                  Potentials . . . . . . . . . . . . . . . 267--279
                 G. Avdelas and   
              A. Konguetsof and   
                    T. E. Simos   A Generator and an Optimized Generator
                                  of High-Order Hybrid Explicit Methods
                                  for the Numerical Solution of the
                                  Schrödinger Equation. Part 1. Development
                                  of the Basic Method  . . . . . . . . . . 281--291
                 G. Avdelas and   
              A. Konguetsof and   
                    T. E. Simos   A Generator and an Optimized Generator
                                  of High-Order Hybrid Explicit Methods
                                  for the Numerical Solution of the
                                  Schrödinger Equation. Part 2. Development
                                  of the Generator, Optimization of the
                                  Generator and Numerical Results  . . . . 293--305
                      Anonymous   Author Index . . . . . . . . . . . . . . 307--308


Journal of Mathematical Chemistry
Volume 30, Number 1, July, 2001

                 Genyuan Li and   
             Sheng-Wei Wang and   
            Carey Rosenthal and   
                Herschel Rabitz   High Dimensional Model Representations
                                  Generated from Low Dimensional Data
                                  Samples. I. mp-Cut-HDMR  . . . . . . . . 1--30
              A. F. Antippa and   
                  J.-J. Max and   
                    C. Chapados   Boundary Effects in the Hexagonal
                                  Packing of Rod-Like Molecules Inside a
                                  Right Circular Cylindrical Domain. III.
                                  The Case of Arbitrarily Oriented
                                  Spherocylindrical Molecules  . . . . . . 31--67
               Bruno Blaive and   
            Jean-Claude Ziegler   Modeling of Substituent Effects:
                                  Self-Parametrization, a Case of
                                  Interdependence of the Coefficients,
                                  Illustrated on the Linear Plus
                                  Cross-Term Models  . . . . . . . . . . . 69--81
                 Guowei Wei and   
              Haixiang Wang and   
            Donald J. Kouri and   
            Manos Papadakis and   
      Ioannis A. Kakadiaris and   
               David K. Hoffman   On the Mathematical Properties of
                                  Distributed Approximating Functionals    83--107
                Mark Pinsky and   
         Kenny B. Lipkowitz and   
                    David Avnir   Continuous Symmetry Measures. VI. The
                                  Relations Between Polyhedral
                                  Point-Group/Subgroup Symmetries  . . . . 109--120
                T. E. Simos and   
              Jesus Vigo Aguiar   A Modified Phase-Fitted Runge--Kutta
                                  Method for the Numerical Solution of the
                                  Schrödinger Equation  . . . . . . . . . . 121--131

Journal of Mathematical Chemistry
Volume 30, Number 2, August, 2001

          S. Handrock-Meyer and   
             L. V. Kalachev and   
                K. R. Schneider   A Method to Determine the Dimension of
                                  Long-Time Dynamics in Multi-Scale
                                  Systems  . . . . . . . . . . . . . . . . 133--160
              Zheng-Wu Wang and   
                Xi-Zhang Yi and   
                Da-Ren Guan and   
                     Gan-Zuo Li   An Application of Functional Analysis
                                  Method to the Potential of Electrical
                                  Double Layer for Spherical Micelles  . . 161--167
      Alessandra Micheletti and   
                  Martin Burger   Stochastic and Deterministic Simulation
                                  of Nonisothermal Crystallization of
                                  Polymers . . . . . . . . . . . . . . . . 169--193
            W. Okrasi\'nski and   
                M. I. Parra and   
                     F. Cuadros   Modeling Evaporation Using a Nonlinear
                                  Diffusion Equation . . . . . . . . . . . 195--202
               Enric Fossas and   
                Rosa M. Ros and   
                 Jaume Fabregat   Sliding Mode Control in a Bioreactor
                                  Model  . . . . . . . . . . . . . . . . . 203--218
             K. Balasubramanian   Linear Variational Diophantine
                                  Techniques in Mass Balance of Chemical
                                  Reactions  . . . . . . . . . . . . . . . 219--225
       Ramon Carbó-Dorca   Inward Matrix Product Algebra and
                                  Calculus as Tools to Construct
                                  Space--Time Frames of Arbitrary
                                  Dimensions . . . . . . . . . . . . . . . 227--245

Journal of Mathematical Chemistry
Volume 30, Number 3, October, 2001

                      Anonymous   Editorial Foreword . . . . . . . . . . . 247--248
                Shinsaku Fujita   The Unit-Subduced-Cycle-Index Methods
                                  and the Characteristic-Monomial Method.
                                  Their Relationship as Group-Theoretical
                                  Tools for Chemical Combinatorics . . . . 249--270
                D. J. Klein and   
                    O. Ivanciuc   Graph Cyclicity, Excess Conductance, and
                                  Resistance Deficit . . . . . . . . . . . 271--287
                Frank G. Lether   A Family of Approximations for the
                                  Numerical Computation of the
                                  Randles--Sevcik Function in
                                  Electrochemistry . . . . . . . . . . . . 289--297
                  Paul G. Mezey   The Holographic Principle for Latent
                                  Molecular Properties . . . . . . . . . . 299--303
                  Paul G. Mezey   A Uniqueness Theorem of Molecular
                                  Recognition  . . . . . . . . . . . . . . 305--313
             Zsolt Szekeres and   
                  Paul G. Mezey   Mathematical Problems of Nuclear
                                  Configuration Averaging  . . . . . . . . 315--324
               Xiaofeng Guo and   
                 Milan Randi\'c   Recursive Formulae for Enumeration of
                                  LM--Conjugated Circuits in Structurally
                                  Related Benzenoid Hydrocarbons . . . . . 325--342
               Heping Zhang and   
                     Fuji Zhang   New Lower Bound on the Number of Perfect
                                  Matchings in Fullerene Graphs  . . . . . 343--347

Journal of Mathematical Chemistry
Volume 30, Number 4, November, 2001

         Tomislav P. Zivkovi\'c   Augmentation of the Generalised $n
                                  \times n$ Eigenvalue Equation to a
                                  Generalised $(n + 1) \times (n + 1)$
                                  Eigenvalue Equation  . . . . . . . . . . 349--373
              Paul G. Mezey and   
            Peter Warburton and   
                    E. Jako and   
                 Zsolt Szekeres   Dimension Concepts and Reduced
                                  Dimensions in Toxicological QShAR
                                  Databases as Tools for Data Quality
                                  Assessment . . . . . . . . . . . . . . . 375--387
                  A. Frolov and   
                    E. Jako and   
                    P. G. Mezey   Logical Models of Molecular Shapes and
                                  Their Families . . . . . . . . . . . . . 389--409
                  A. Frolov and   
                    E. Jako and   
                    P. G. Mezey   Metric Properties of Factor Space of
                                  Molecular Shapes . . . . . . . . . . . . 411--428
             Gordon G. Cash and   
                 Jerry Ray Dias   Computation, Properties and Resonance
                                  Topology of Benzenoid Monoradicals and
                                  Polyradicals and the Eigenvectors
                                  Belonging to Their Zero Eigenvalues  . . 429--444


Journal of Mathematical Chemistry
Volume 31, Number 1, January, 2002

           Paul J. F. Gandy and   
                Jacek Klinowski   Nodal Surface Approximations to the Zero
                                  Equipotential Surfaces for Cubic
                                  Lattices . . . . . . . . . . . . . . . . 1--16
                   E. Brown and   
                      H. Rabitz   Some Mathematical and Algorithmic
                                  Challenges in the Control of Quantum
                                  Dynamics Phenomena . . . . . . . . . . . 17--63
                 L. Persson and   
                 U. Cegrell and   
                   N. Usova and   
                 P.-O. Westlund   The Mathematical Theory of Ito
                                  Diffusions on Hypersurfaces, with
                                  Applications to NMR Relaxation Problems  65--89
                 V. N. Glushkov   Spin-Unrestricted Formalism for a
                                  Partially Restricted Hartree--Fock
                                  Approach . . . . . . . . . . . . . . . . 91--103
       Gregory S. Tschumper and   
               Mark R. Hoffmann   Superconvergent Perturbation Theory for
                                  an Anharmonic Oscillator . . . . . . . . 105--120
         Necmettin Yildirim and   
Mehmet Çiftçi and   
Ö. Irfan Küfrevio\uglu   Kinetic Analysis of Multi Enzyme
                                  Systems: A Case Study of the Closed
                                  System of Creatine Kinase, Hexokinase
                                  and Glucose $6$-Phosphate Dehydrogenase  121--130
                M. G. Marmorino   Quantum-Mechanical Proof of a Redheffer
                                  Inequality . . . . . . . . . . . . . . . 131--133

Journal of Mathematical Chemistry
Volume 31, Number 2, February, 2002

                T. E. Simos and   
              Jesus Vigo-Aguiar   Symmetric Eighth Algebraic Order Methods
                                  with Minimal Phase-Lag for the Numerical
                                  Solution of the Schrödinger Equation  . . 135--144
            P. Cassam-Chena\"\i   Frequently Asked Questions on ``Some
                                  Fundamental Problems with Zero Flux
                                  Partitioning of Electron Densities'' . . 145--153
               M. I. Nelson and   
                    H. S. Sidhu   Bifurcation Phenomena for an Oxidation
                                  Reaction in a Continuously Stirred Tank
                                  Reactor I. Adiabatic Operation . . . . . 155--186
              Tomislav Dosli\'c   On Some Structural Properties of
                                  Fullerene Graphs . . . . . . . . . . . . 187--195
                M. G. Marmorino   Equivalence of Two Lower Bound Methods   197--203
                M. G. Marmorino   Asymptotic Behavior of the $t$ Expansion 205--210
             Z. Kalogiratou and   
                    T. E. Simos   Construction of Trigonometrically and
                                  Exponentially Fitted
                                  Runge--Kutta--Nyström Methods for the
                                  Numerical Solution of the Schrödinger
                                  Equation and Related Problems --- a
                                  Method of $8$th Algebraic Order  . . . . 211--232
               J. W. Barnes and   
                S. P. Dokov and   
                 R. Acevedo and   
                     A. Solomon   A Note on Distance Matrices Yielding
                                  Elementary Landscapes for the TSP  . . . 233--235

Journal of Mathematical Chemistry
Volume 31, Number 3, April, 2002

                 Wei Guo Xu and   
                    Qian Shu Li   The Dimensionlessness of Chemical
                                  Kinetic Equation . . . . . . . . . . . . 237--250
         Gerald M. Maggiora and   
             James D. Petke and   
                  Jordi Mestres   A General Analysis of Field-Based
                                  Molecular Similarity Indices . . . . . . 251--270
                   Shiying Wang   DNA Computing of Bipartite Graphs for
                                  Maximum Matching . . . . . . . . . . . . 271--279
                    F. P. Temme   Quasi-Particle Dual Mappings on $
                                  \widetilde {\mathbb {H}}_v $ Carrier
                                  Spaces for Dynamical Structures of $
                                  S_{2 n} $-Invariant-Based, Integer-Rank
                                  Tensorial Sets: A Democratic-Recoupling
                                  $ S_{2 n} $-Compatible Overview of
                                  $v$-Auxiliary Labelling in Superboson
                                  Algebras of Uniform Multispin NMR
                                  Ensembles  . . . . . . . . . . . . . . . 281--312
             Peter L. Simon and   
        Serafim Kalliadasis and   
             John H. Merkin and   
               Stephen K. Scott   Quenching of Flame Propagation with Heat
                                  Loss . . . . . . . . . . . . . . . . . . 313--332

Journal of Mathematical Chemistry
Volume 31, Number 4, May, 2002

                  Ching-Wan Lam   Enumeration of Isomers of
                                  Alkylcyclobutadienes by Means of Alkyl
                                  1,1,1-Triradicals  . . . . . . . . . . . 333--337
                 Herb Kunze and   
                   David Siegel   Monotonicity Properties of Chemical
                                  Reactions with a Single Initial
                                  Bimolecular Step . . . . . . . . . . . . 339--344
    András Büki and   
        Tamás Perger and   
Tamás Turányi and   
                    Ulrich Maas   Repro-Modelling Based Generation of
                                  Intrinsic Low-Dimensional Manifolds  . . 345--362
                   G. J. Bowden   Nuclear Spin-Waves, Multiple Quantum
                                  NMR, and the Benzene Ring  . . . . . . . 363--370
                 G. Avdelas and   
               E. Kefalidis and   
                    T. E. Simos   New P-Stable Eighth Algebraic Order
                                  Exponentially-Fitted Methods for the
                                  Numerical Integration of the Schrödinger
                                  Equation . . . . . . . . . . . . . . . . 371--404
              Wai Chee Shiu and   
          Peter Che Bor Lam and   
                 Fuji Zhang and   
                   Heping Zhang   Normal Components, Kekulé Patterns, and
                                  Clar Patterns in Plane Bipartite Graphs  405--420
                 Teik-Cheng Lim   A Note on Mathematical Relationships
                                  Among Bond-Torsion Force Fields  . . . . 421--428


Journal of Mathematical Chemistry
Volume 32, Number 1, July, 2002

                Shinsaku Fujita   Enantiomeric and Diastereomeric
                                  Relationships of Ethylene Derivatives.
                                  Restructuring Stereochemistry by a
                                  Group-Theoretical and Combinatorial
                                  Approach . . . . . . . . . . . . . . . . 1--17
                M. G. Marmorino   Lower Bounds to Ground-State Eigenvalues 19--29
               I. A. Howard and   
                N. H. March and   
                    D. J. Klein   Edge Confinement of a Two-Dimensional
                                  Electron Gas and Its Relevance to the
                                  Electron Density Near a Vacancy Defect
                                  in Graphite  . . . . . . . . . . . . . . 31--37
         Tomislav P. Zivkovi\'c   On the Interaction of Two
                                  Finite-Dimensional Quantum Systems . . . 39--71
             Peter L. Simon and   
        Serafim Kalliadasis and   
             John H. Merkin and   
               Stephen K. Scott   Quenching of Flame Propagation Through
                                  Endothermic Reaction . . . . . . . . . . 73--98

Journal of Mathematical Chemistry
Volume 32, Number 2, August, 2002

         Tomislav P. Zivkovi\'c   Interaction of a Single State with a
                                  Known Infinite System Containing
                                  One-Parameter Eigenvalue Band  . . . . . 99--158
                Susumu Morimoto   A Periodic Table for Genetic Codes . . . 159--200
       Ramon Carbó-Dorca   Shell Partition and Metric Semispaces:
                                  Minkowski Norms, Root Scalar Products,
                                  Distances and Cosines of Arbitrary Order 201--223
                 R. Baronas and   
              F. Ivanauskas and   
                       J. Kulys   Modelling Dynamics of Amperometric
                                  Biosensors in Batch and Flow Injection
                                  Analysis . . . . . . . . . . . . . . . . 225--237

Journal of Mathematical Chemistry
Volume 32, Number 3, October, 2002

                  Paul G. Mezey   Editorial Comment  . . . . . . . . . . . 239--239
                   A. Torre and   
                    L. Lain and   
              R. Bochicchio and   
                       R. Ponec   Topological Population Analysis from
                                  Higher Order Densities II. The
                                  Correlated Case  . . . . . . . . . . . . 241--248
                 Teik-Cheng Lim   Mathematical Relationships Between
                                  Bond-Bending Force Fields  . . . . . . . 249--256
             J. Vigo-Aguiar and   
                    T. E. Simos   Family of Twelve Steps Exponential
                                  Fitting Symmetric Multistep Methods for
                                  the Numerical Solution of the Schrödinger
                                  Equation . . . . . . . . . . . . . . . . 257--270
             Necmettin Yildirim   Quasi-Steady State Kinetics of Simple
                                  Sequential Multienzyme Reactions with
                                  Single Substrates  . . . . . . . . . . . 271--280
             J. D. Campbell and   
           D. A. Harrington and   
       P. van den Driessche and   
                    J. Watmough   Stability of Surface Mechanisms with
                                  Three Species and Mass--Action Kinetics  281--301
                M. G. Marmorino   Exactly Soluble Hamiltonian with a
                                  Squared Cotangent Potential  . . . . . . 303--308

Journal of Mathematical Chemistry
Volume 32, Number 4, November, 2002

             I. I. Guseinov and   
                  B. A. Mamedov   Calculation of Multicenter Nuclear
                                  Attraction and Electron Repulsion
                                  Integrals over Slater Orbitals by
                                  Fourier Transform Method Using
                                  Gegenbauer Polynomials . . . . . . . . . 309--322
                  H. Taseli and   
              Inci M. Erhan and   
                   Ö. Ugur   An Eigenfunction Expansion for the
                                  Schrödinger Equation with Arbitrary
                                  Non-Central Potentials . . . . . . . . . 323--338
                Gregory S. Ezra   Geometric Approach to Response Theory in
                                  Non--Hamiltonian Systems . . . . . . . . 339--360
             P. G. L. Leach and   
                 T. A. Ford and   
              P. H. Matabal and   
                 David P. White   Computation of the Effective Volumes of
                                  Covalently Bonded Molecules  . . . . . . 361--379
           Paul Caylor McKinney   Schrödinger Equation Solutions for the
                                  Central Field Power Potential Energy I.
                                  $ V(r) = V_0 (r / a_0)^{2 \nu - 2}, \nu
                                  \geq 1 $ . . . . . . . . . . . . . . . . 381--404
           Paul Caylor McKinney   Schrödinger Equation Solutions for the
                                  Central Field Power Potential Energy II.
                                  $ V(r) = - V_0 (r / a_0)^{2 \nu - 2}, 0
                                  \leq \nu \leq 1 $, the Bound States  . . 405--410


Journal of Mathematical Chemistry
Volume 33, Number 1, January, 2003

          F. Aluffi-Pentini and   
                V. De Fonzo and   
                      V. Parisi   A Novel Algorithm for the Numerical
                                  Integration of Systems of Ordinary
                                  Differential Equations Arising in
                                  Chemical Problems  . . . . . . . . . . . 1--15
              Wai Chee Shiu and   
          Peter Che Bor Lam and   
                 Lian-zhu Zhang   Extremal $ k^* $-Cycle Resonant
                                  Hexagonal Chains . . . . . . . . . . . . 17--28
                 Teik-Cheng Lim   Mathematical Connections Between
                                  Bond-Stretching Potential Functions  . . 29--37
        Sergei V. Zelentsov and   
         Samuel Kh. Aranson and   
             Leonid A. Belyakov   Solving the Problem of Photochemical
                                  Kinetics in a Medium with Low Reagent
                                  Mobilities . . . . . . . . . . . . . . . 39--54
           Gordon J. Miller and   
                John G. Verkade   Shell Structures in Molecular Orbital
                                  Energy Diagrams for ``Small'' Fullerene
                                  Cages: Free-Electron Versus Generator
                                  Orbital Models . . . . . . . . . . . . . 55--79

Journal of Mathematical Chemistry
Volume 33, Number 2, February, 2003

                   X. H. Li and   
                      J. J. Lin   The Overall Hyper--Wiener Index  . . . . 81--89
                   Boris Hollas   An Analysis of the Autocorrelation
                                  Descriptor for Molecules . . . . . . . . 91--101
              Tomislav Dosli\'c   Cyclical Edge-Connectivity of Fullerene
                                  Graphs and $ (k, 6)$-Cages . . . . . . . 103--112
                Shinsaku Fujita   Stereogenicity/Astereogenicity as
                                  Global/Local Permutation-Group Symmetry
                                  and Relevant Concepts for Restructuring
                                  Stereochemistry  . . . . . . . . . . . . 113--143
                James Avery and   
                     John Avery   The Generalized Sturmian Method for
                                  Calculating Spectra of Atoms and Ions    145--162
                N. H. March and   
                       A. Holas   Kinetic energy density of the
                                  two-electron Hookean atom in terms of
                                  the ground-state electron density  . . . 163--170

Journal of Mathematical Chemistry
Volume 33, Number 3--4, May, 2003

                Jianji Wang and   
                 Ruxiong Li and   
                      Shen Wang   Enumeration of Isomers of Acyclic
                                  Saturated Hydroxyl Ethers  . . . . . . . 171--179
            T. Özdogan and   
         S. Gümüs and   
                        M. Kara   Calculation of Two-Center Nuclear
                                  Attraction Integrals over Integer and
                                  Noninteger $n$-Slater Type Orbitals in
                                  Nonlined-Up Coordinate Systems . . . . . 181--188
                Xueliang Li and   
               Haixing Zhao and   
                   Lusheng Wang   A Complete Solution to a Conjecture on
                                  the $ \beta $-Polynomials of Graphs  . . 189--193
                Adel F. Antippa   Lattice Structure of Phospholipidic
                                  Molecular Domains at the Liquid--Gas
                                  Interface  . . . . . . . . . . . . . . . 195--225
       Ramon Carbó-Dorca   About Some Questions Relative to the
                                  Arbitrariness of Signs: Their Possible
                                  Consequences in Matrix Signatures
                                  Definition and Quantum Chemical
                                  Applications . . . . . . . . . . . . . . 227--244
        Kazimierz Darowicki and   
          Waldemar Felisiak and   
              Artur Zieli\'nski   A Novel Method of Spectral Analysis of
                                  Oscillatory Belousov--Zhabotinsky
                                  Reaction . . . . . . . . . . . . . . . . 245--254
            Shinsaku Fujita and   
                Sherif El-Basil   Graphical Models of Characters of Groups 255--277
                 Teik-Cheng Lim   Scaling Function Between the
                                  Exponential-$6$ and the Generalized
                                  Lennard-Jones Potential Functions  . . . 279--285


Journal of Mathematical Chemistry
Volume 34, Number 1--2, July, 2003

                  G. Benzal and   
                   A. Kumar and   
               A. M. Sastre and   
                    A. Delshams   Simulation of Non-Linear Flow Density in
                                  Transition State from the Mathematical
                                  Model of the Diffusion of Metal Anions
                                  Through a Flat Sheet Supported Liquid
                                  Membrane . . . . . . . . . . . . . . . . 1--27
      Stephan Alexander Baeurle   On a New Formulation of the Real-Time
                                  Propagator . . . . . . . . . . . . . . . 29--38
                    T. E. Simos   A Family of Trigonometrically-Fitted
                                  Symmetric Methods for the Efficient
                                  Solution of the Schrödinger Equation and
                                  Related Problems . . . . . . . . . . . . 39--58
                M. G. Marmorino   Lower Bounds to Ground-State Eigenvalues
                                  II . . . . . . . . . . . . . . . . . . . 59--66
           Patrick Bultinck and   
       Ramon Carbó-Dorca   Negative and Infinite Fukui Functions:
                                  The Role of Diagonal Dominance in the
                                  Hardness Matrix  . . . . . . . . . . . . 67--74
   Ramon Carbó-Dorca and   
               Patrick Bultinck   Analysis of a General Theorem Concerning
                                  Two Non-Commuting Hermitian Matrices:
                                  Quantum Mechanical Implications for
                                  Ground and Excited States  . . . . . . . 75--82
             Kostas Tselios and   
                    T. E. Simos   Symplectic Methods for the Numerical
                                  Solution of the Radial Shrödinger
                                  Equation . . . . . . . . . . . . . . . . 83--94
                   Chin-Yah Yeh   A Mathematical Problem in Isomerism and
                                  Radicality of Acyclic Conjugated
                                  Polyenes . . . . . . . . . . . . . . . . 95--110
             Lian-Zhu Zhang and   
                      Feng Tian   Extremal Catacondensed Benzenoids  . . . 111--122
                    P. Ramasami   A Concise Description of an Old Problem:
                                  Application of Matrices to Obtain the
                                  Balancing Coefficients of Chemical
                                  Equations  . . . . . . . . . . . . . . . 123--129
            G. P. Arrighini and   
                S. Bruzzone and   
                    C. Guidotti   More on the Airy Averaging Method  . . . 131--136

Journal of Mathematical Chemistry
Volume 34, Number 3--4, November, 2003

          Valentin Vankov Iliev   On Certain Organic Compounds with One
                                  Mono-Substitution and at Least Three
                                  Di-Substitution Homogeneous Derivatives  137--150
                 Teik-Cheng Lim   Spring Constant Analogy for Estimating
                                  Stiffness of a Single Polyethylene
                                  Molecule . . . . . . . . . . . . . . . . 151--161
Kristóf Kály-Kullai   A Fast Method to Simulate Travelling
                                  Waves in Nonhomogeneous Chemical or
                                  Biological Media . . . . . . . . . . . . 163--176
                  H. Taseli and   
        M. Bahar Erseçen   The Scaled Hermite--Weber Basis Still
                                  Highly Competitive . . . . . . . . . . . 177--187
              T. G. Schmalz and   
                 M. T. Pena and   
             E. T. Morgenthaler   Bond Length Dependence of Cluster
                                  Expansions of Pi-Electron Energy . . . . 189--199
                   Anjana Sinha   Three-Dimensional Confinement: WKB
                                  Revisited  . . . . . . . . . . . . . . . 201--213
                 Teik-Cheng Lim   Elastic Properties of a Polyethylene
                                  Single-Molecule  . . . . . . . . . . . . 215--220
                 Teik-Cheng Lim   Exact Non-Linear Relationship Between
                                  Exponential-$6$ and Lennard-Jones ($
                                  12$--$6$) Potential Functions  . . . . . 221--225
                 R. Baronas and   
              F. Ivanauskas and   
                   J. Kulys and   
                   M. Sapagovas   Modelling of Amperometric Biosensors
                                  with Rough Surface of the Enzyme
                                  Membrane . . . . . . . . . . . . . . . . 227--242
                      H. Taseli   Exact Analytical Solutions of the
                                  Hamiltonian with a Squared Tangent
                                  Potential  . . . . . . . . . . . . . . . 243--251
                Shigeru Arimoto   Note on the Repeat Space Theory  . . . . 253--257
                Shigeru Arimoto   New Proof of the Fukui Conjecture by the
                                  Functional Asymptotic Linearity Theorem  259--285
                Shigeru Arimoto   The Functional Delta Existence Theorem
                                  and the Reduction of a Proof of the
                                  Fukui Conjecture to That of the Special
                                  Functional Asymptotic Linearity Theorem  287--296
               Sasan Karimi and   
             Marty Lewinter and   
                Julian Stauffer   Double Bonds in Fused Hexacyclic Systems 297--301


Journal of Mathematical Chemistry
Volume 35, Number 1, January, 2004

          Gustavo A. Arteca and   
                       O. Tapia   Comparison Between a Generalized
                                  Electronic Diabatic Approach and the
                                  Born--Oppenheimer Separation Scheme in
                                  Inertial Frames  . . . . . . . . . . . . 1--19
                 Shun S. Lo and   
              Daniel A. Morales   A Closed-Form Relation for
                                  Dimension-Dependent Two-Electron Matrix
                                  Elements of the Interelectronic Distance 21--28
                Gregory S. Ezra   On the Statistical Mechanics of
                                  Non--Hamiltonian Systems: The
                                  Generalized Liouville Equation, Entropy,
                                  and Time--Dependent Metrics  . . . . . . 29--53
             Kostas Tselios and   
                    T. E. Simos   Symplectic Methods of Fifth Order for
                                  the Numerical Solution of the Radial
                                  Shrödinger Equation . . . . . . . . . . . 55--63
          Ömer F. Alis and   
            Herschel Rabitz and   
                 M. Q. Phan and   
               C. Rosenthal and   
                       M. Pence   On the Inversion of Quantum Mechanical
                                  Systems: Determining the Amount and Type
                                  of Data for a Unique Solution  . . . . . 65--78
                M. G. Marmorino   Upper Bound to the Expectation Value of
                                  the Squared Hamiltonian  . . . . . . . . 79--85

Journal of Mathematical Chemistry
Volume 35, Number 2, February, 2004

                 Fuji Zhang and   
                   Lusheng Wang   $k$-Resonance of Open-Ended Carbon
                                  Nanotubes  . . . . . . . . . . . . . . . 87--103
  Emilio Martínez Torres   Burnside Rings: Application to Molecules
                                  of Icosahedral Symmetry  . . . . . . . . 105--117
               M. I. Nelson and   
                    H. S. Sidhu   Flammability Limits of an Oxidation
                                  Reaction in a Batch Reactor. II. The
                                  Rychlý Mechanism  . . . . . . . . . . . . 119--129
             Chelo Ferreira and   
José L. López and   
                    Pedro Miana   Two Algorithms for Computing the
                                  Randles--Sevcik Function from
                                  Electrochemistry . . . . . . . . . . . . 131--137
      Olga Bodroza-Panti\'c and   
              Rade Doroslovacki   The Gutman Formulas for Algebraic
                                  Structure Count  . . . . . . . . . . . . 139--146

Journal of Mathematical Chemistry
Volume 35, Number 3, March, 2004

               Michel Petitjean   From Shape Similarity to Shape
                                  Complementarity: Toward a Docking Theory 147--158
          Gustavo A. Arteca and   
                       O. Tapia   A Three-State Model for Electronic
                                  Transitions Represented in a Generalized
                                  Diabatic Approach  . . . . . . . . . . . 159--174
                 Weigen Yan and   
                     Fuji Zhang   On the Permanental Polynomials of Some
                                  Graphs . . . . . . . . . . . . . . . . . 175--188
            M. G. Marmorino and   
                   Pritha Gupta   Surpassing the Temple Lower Bound  . . . 189--197
                 R. Baronas and   
              F. Ivanauskas and   
                       J. Kulys   The Effect of Diffusion Limitations on
                                  the Response of Amperometric Biosensors
                                  with Substrate Cyclic Conversion . . . . 199--213
               Josef Paldus and   
                Xiangzhu Li and   
         Nicholas D. K. Petraco   General-Model-Space State-Universal
                                  Coupled-Cluster Method: Diagrammatic
                                  Approach . . . . . . . . . . . . . . . . 215--251
                   R. Hinch and   
                     S. Schnell   Mechanism Equivalence in
                                  Enzyme-Substrate Reactions: Distributed
                                  Differential Delay in Enzyme Kinetics    253--264
                Shinsaku Fujita   Integrated Discussion on Stereogenicity
                                  and Chirality for Restructuring
                                  Stereochemistry  . . . . . . . . . . . . 265--287
                  L. Delle Site   A Note on the Initial Condition of the
                                  Differential Equation Which Defines
                                  Proper Quantum Topological Subspaces . . 289--295

Journal of Mathematical Chemistry
Volume 35, Number 4, April, 2004

               Xiaoyan Wang and   
                  Shiliang Ding   An Application of the Dynamical Lie
                                  Algebraic Method to Potential Energy
                                  Surface of the Stable Linear Asymmetric
                                  Tetratomic Molecules . . . . . . . . . . 297--307
             Peter L. Simon and   
           Stephen K. Scott and   
        Serafim Kalliadasis and   
                 John H. Merkin   On the Structure of the Spectra for a
                                  Class of Combustion Waves  . . . . . . . 309--328
                 Aba Teleki and   
                   Teodor Obert   Evaluation of the 3rd Order
                                  Perturbations for the Degenerate Cases   329--338
             Timothy Bocchi and   
             Marty Lewinter and   
                   Sasan Karimi   On the Distribution of $ \pi $ Bonds in
                                  Cyclofusene  . . . . . . . . . . . . . . 339--344
             K. Balasubramanian   Multinomial Combinatorial Group
                                  Representations of the Octahedral and
                                  Cubic Symmetries . . . . . . . . . . . . 345--365


Journal of Mathematical Chemistry
Volume 36, Number 1, May, 2004

                      H. Taseli   A Class of Orthogonal Polynomials
                                  Suggested by a Trigonometric
                                  Hamiltonian: Symmetric States  . . . . . 1--12
                    T. E. Simos   Exponentially-Fitted Multiderivative
                                  Methods for the Numerical Solution of
                                  the Schrödinger Equation  . . . . . . . . 13--27
               Jan Turulski and   
                Jan Niedzielski   Earth's Biodiversity as Interpreted by a
                                  Chemist  . . . . . . . . . . . . . . . . 29--40
       Ramon Carbó-Dorca   Heisenberg's Relations in Discrete
                                  $N$-Dimensional Parameterized Metric
                                  Vector Spaces  . . . . . . . . . . . . . 41--54
                  Sergio Aragon   The Algebraic Structure of Physical
                                  Quantities . . . . . . . . . . . . . . . 55--74
       Ramon Carbó-Dorca   Infinite-Dimensional Time Vectors as
                                  Background Building Blocks of a
                                  Space--Time Frame Structure  . . . . . . 75--81

Journal of Mathematical Chemistry
Volume 36, Number 2, June, 2004

                 I. I. Guseinov   Analytical Evaluation of Multicenter
                                  Multielectron Integrals of Central and
                                  Noncentral Interaction Potentials over
                                  Slater Orbitals Using Overlap Integrals
                                  and Auxiliary Functions  . . . . . . . . 83--91
           Claudio Amovilli and   
           Frederik E. Leys and   
                Norman H. March   Electronic energy spectrum of
                                  two-dimensional solids and a chain of C
                                  atoms from a quantum network model . . . 93--112
             I. I. Guseinov and   
                  B. A. Mamedov   Evaluation of Multicenter Electronic
                                  Attraction, Electric Field and Electric
                                  Field Gradient Integrals with Screened
                                  and Nonscreened Coulomb Potentials over
                                  Integer and Noninteger $n$ Slater
                                  Orbitals . . . . . . . . . . . . . . . . 113--121
                 I. I. Guseinov   Comment on ``Calculation of Two-Center
                                  Nuclear Attraction Integrals over
                                  Integer and Noninteger $n$-Slater-Type
                                  Orbitals in Nonlined-Up Coordinate
                                  Systems''  . . . . . . . . . . . . . . . 123--127
                    Bi Xian and   
                 Tonghua Li and   
                   Chen Kai and   
              Tongcheng Cao and   
             Jianrong Huang and   
                     Yunpeng Qi   A Novel Preprocessing Algorithm for
                                  Three-Way HPLC Data  . . . . . . . . . . 129--138
                 Teik-Cheng Lim   Relationship Between Morse and
                                  Murrell--Mottram Potentials at Long
                                  Range  . . . . . . . . . . . . . . . . . 139--145
                 Teik-Cheng Lim   Application of Maclaurin Series in
                                  Relating Interatomic Potential
                                  Functions: A Review  . . . . . . . . . . 147--160
Francisco M. Fernández and   
              Eduardo A. Castro   Relationships Among Potential-Energy
                                  Functions  . . . . . . . . . . . . . . . 161--165
             K. Balasubramanian   Number Theory  . . . . . . . . . . . . . 167--167
         Nikolaos Kazantzis and   
              Raymond A. Wright   On the Nonlinear Dynamic State
                                  Reconstruction Problem for
                                  Chemical/Biochemical Reaction Systems in
                                  the Presence of Model Uncertainty  . . . 169--190
           Patrick Bultinck and   
       Ramon Carbó-Dorca   A Mathematical Discussion on Density and
                                  Shape Functions, Vector Semispaces and
                                  Related Questions  . . . . . . . . . . . 191--200

Journal of Mathematical Chemistry
Volume 36, Number 3, July, 2004

   Ramon Carbó-Dorca and   
               Patrick Bultinck   A General Procedure to Obtain Quantum
                                  Mechanical Charge and Bond Order
                                  Molecular Parameters . . . . . . . . . . 201--210
            Shinsaku Fujita and   
                Sherif El-Basil   Doubly-Colored Graphs as Graphical
                                  Models for Subductions of Coset
                                  Representations, Double Cosets, and Unit
                                  Subduced Cycle Indices . . . . . . . . . 211--229
   Ramon Carbó-Dorca and   
               Patrick Bultinck   Quantum Mechanical Basis for Mulliken
                                  Population Analysis  . . . . . . . . . . 231--239
       Ramon Carbó-Dorca   Non-linear Terms & Variational Approach
                                  in Quantum QSPR  . . . . . . . . . . . . 241--260
                 Teik-Cheng Lim   Connection Among Classical Interatomic
                                  Potential Functions  . . . . . . . . . . 261--269
          Damir Vukicevi\'c and   
             Milan Randi\'c and   
           Alexandru T. Balaban   Partitioning of $ \pi $-electrons in
                                  Rings of Polycyclic Conjugated
                                  Hydrocarbons. Part 4. Benzenoids with
                                  More Than One Geometric Kekulé Structure
                                  Corresponding to the Same Algebraic
                                  Kekulé Structure  . . . . . . . . . . . . 271--279
                 R. Baronas and   
              F. Ivanauskas and   
              R. Maslovskis and   
                     P. Vaitkus   An Analysis of Mixtures Using
                                  Amperometric Biosensors and Artificial
                                  Neural Networks  . . . . . . . . . . . . 281--297
                    F. P. Temme   Erratum  . . . . . . . . . . . . . . . . 299--300
                  B. A. Mamedov   On the Evaluation of Boys Functions
                                  Using Downward Recursion Relation  . . . 301--306

Journal of Mathematical Chemistry
Volume 36, Number 4, August, 2004

             Michael Hirsch and   
                 Wolfgang Quapp   Reaction Pathways and Convexity of the
                                  Potential Energy Surface: Application of
                                  Newton Trajectories  . . . . . . . . . . 307--340
             I. I. Guseinov and   
                  B. A. Mamedov   Evaluation of Incomplete Gamma Functions
                                  Using Downward Recursion and Analytical
                                  Relations  . . . . . . . . . . . . . . . 341--346
               Enric Fossas and   
                Rosa M. Ros and   
     Herbet Sira-Ramírez   Passivity-Based Control of a Bioreactor
                                  System . . . . . . . . . . . . . . . . . 347--360
           E. Besalú and   
   J. V. de Julián-Ortiz   Equivalence of the Pecka--Ponec
                                  Correlation Probability and the
                                  Statistical $F$ Significance for MLR
                                  Models . . . . . . . . . . . . . . . . . 361--363
                 Wolfgang Quapp   Newton Trajectories in the Curvilinear
                                  Metric of Internal Coordinates . . . . . 365--379
         Michael J. Bucknum and   
              Eduardo A. Castro   Spiroconjugation in $1$-, $2$-, and
                                  $3$-Dimensions: The Foundations of a
                                  Spiro Quantum Chemistry  . . . . . . . . 381--408
         Stephan A. Baeurle and   
                Juergen Kroener   Modeling Effective Interactions of
                                  Micellar Aggregates of Ionic Surfactants
                                  with the Gauss-Core Potential  . . . . . 409--421


Journal of Mathematical Chemistry
Volume 37, Number 1, January, 2005

               Shan-Tao Lai and   
              Ying-Nan Chiu and   
               Ricardo Letelier   The primitive L-pattern of angular
                                  momentum recoupling coefficients . . . . 1--16
                  Zhang Shi Min   Approximate Expression for Interaction
                                  of a Two Similar Plane Double Layer at
                                  Moderate and Low Potential . . . . . . . 17--26
        Telhat Özdogan and   
                Metin Orbay and   
               Salih Degirmenci   Evaluation of two-center overlap
                                  integrals using Slater type orbitals in
                                  terms of Bessel type orbitals  . . . . . 27--36
                Qian-Nan Hu and   
              Yi-Zeng Liang and   
               Qing-Song Xu and   
               Kai-Tai Fang and   
             Xiao-Ling Peng and   
                       Hong Yin   Structural features hidden in the degree
                                  distributions of topological graphs  . . 37--56
             L. V. Kalachev and   
                K. R. Schneider   Global behavior and asymptotic reduction
                                  of a chemical kinetics system with
                                  continua of equilibria . . . . . . . . . 57--74
            Shigeru Arimoto and   
           Mark Spivakovsky and   
            Keith F. Taylor and   
                  Paul G. Mezey   Proof of the Fukui conjecture via
                                  resolution of singularities and related
                                  methods. I . . . . . . . . . . . . . . . 75--91

Journal of Mathematical Chemistry
Volume 37, Number 2, January, 2005

                    Yu Qiao and   
                Xinguo Kong and   
     Srinivas S. Chakravarthula   An analysis of aggregate response of
                                  confined liquids in nanoenvironment  . . 93--99
Mário N. Berberan-Santos and   
          Evgeny N. Bodunov and   
              Lionello Pogliani   Classical and quantum study of the
                                  motion of a particle in a gravitational
                                  field  . . . . . . . . . . . . . . . . . 101--115
                 Gordon G. Cash   Coulson function and Hosoya index:
                                  extension of the relationship to
                                  polycyclic graphs and to new types of
                                  matching polynomials . . . . . . . . . . 117--125
                Jianfeng He and   
                    Wei Hua and   
                Xueshen Liu and   
                    Peizhu Ding   Computation of quasiclassical
                                  trajectories by symplectic algorithm for
                                  the N($^4$S) + O$_2$ (X$^3
                                  \Sigma_g$)$^-$ $ \rightarrow $ NO(X$^2
                                  \Pi $) + O($^3$P) reaction system  . . . 127--138
                Metin Aktas and   
                  Ramazan Sever   Exact solution of Schrödinger equation
                                  with deformed ring-shaped potential  . . 139--148
             V. V. Gubernov and   
                H. S. Sidhu and   
                   G. N. Mercer   The effect of ambient temperature on the
                                  propagation of nonadiabatic combustion
                                  waves  . . . . . . . . . . . . . . . . . 149--162
             D. Vukicevi\'c and   
                    D. J. Klein   Characterization of distribution of
                                  pi-electrons amongst benzenoid rings for
                                  Randi\'c's ``algebraic'' Kekulé
                                  structures . . . . . . . . . . . . . . . 163--170
            Shigeru Arimoto and   
           Mark Spivakovsky and   
            Keith F. Taylor and   
                  Paul G. Mezey   Proof of the Fukui conjecture via
                                  resolution of singularities and related
                                  methods. II$^\star$  . . . . . . . . . . 171--189

Journal of Mathematical Chemistry
Volume 37, Number 3, April, 2005

          L. A. A. Nikolopoulos   A numerical basis for the accurate
                                  representation of the continuum spectrum
                                  of atomic Hamiltonians . . . . . . . . . 191--199
                    T. E. Simos   Preface for the special issue on the
                                  International Conference of
                                  Computational Methods in Sciences and
                                  Engineering 2003 (ICCMSE 2003) . . . . . 201--201
          L. A. A. Nikolopoulos   A finite element approach for the
                                  continuum spectrum of the Dirac radial
                                  equation . . . . . . . . . . . . . . . . 203--210
        Elmer G. Valderrama and   
                Jesus M. Ugalde   Electron correlation studies by means of
                                  local-scaling transformations and
                                  electron-pair density functions  . . . . 211--231
          Ioannis Z. Emiris and   
      Theodoros G. Nikitopoulos   Molecular conformation search by
                                  distance matrix perturbations  . . . . . 233--253
   Jesús Vigo-Aguiar and   
                  Higinio Ramos   A variable-step Numerov method for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 255--262
            Th. Monovasilis and   
             Z. Kalogiratou and   
                    T. E. Simos   Exponentially fitted symplectic methods
                                  for the numerical integration of the
                                  Schrödinger equation  . . . . . . . . . . 263--270
             Z. Kalogiratou and   
            Th. Monovasilis and   
                    T. E. Simos   Numerical solution of the
                                  two-dimensional time independent
                                  Schrödinger equation with Numerov-type
                                  methods  . . . . . . . . . . . . . . . . 271--279
            Z. A. Anastassi and   
                    T. E. Simos   Trigonometrically fitted Runge--Kutta
                                  methods for the numerical solution of
                                  the Schrödinger equation  . . . . . . . . 281--293
               G. Psihoyios and   
                    T. E. Simos   Sixth algebraic order trigonometrically
                                  fitted predictor-corrector methods for
                                  the numerical solution of the radial
                                  Schrödinger equation  . . . . . . . . . . 295--316
                D. P. Sakas and   
                    T. E. Simos   A family of multiderivative methods for
                                  the numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 317--332

Journal of Mathematical Chemistry
Volume 37, Number 4, May, 2005

                    Jianxiu Hao   The adjoints of DNA graphs . . . . . . . 333--346
Alexandre Carlos Camacho Rodrigues   Influence of the composition on the
                                  electronegativity and on the oxygen
                                  charge distribution in a binary
                                  hydrotalcite-like by modified Sanderson
                                  method . . . . . . . . . . . . . . . . . 347--351
             I. I. Guseinov and   
                  B. A. Mamedov   Calculation of multicenter electronic
                                  attraction, electric field and electric
                                  field gradient integrals of Coulomb
                                  potential over integer and noninteger
                                  $n$ Slater orbitals  . . . . . . . . . . 353--364
        Feliksas Ivanauskas and   
            Aivaras Kareiva and   
                Bogdanas Lapcun   On the modelling of solid state
                                  reactions.Synthesis of YAG . . . . . . . 365--376
                      H. Taseli   A class of orthogonal polynomials
                                  suggested by a trigonometric
                                  Hamiltonian: Antisymmetric states  . . . 377--388
          Gustavo A. Arteca and   
                       O. Tapia   A quantum theory of chemical processes
                                  and reaction rates based on diabatic
                                  electronic functions coupled in an
                                  external field . . . . . . . . . . . . . 389--408
           Joel Z. Bandstra and   
               Paul G. Tratnyek   Central limit theorem for chemical
                                  kinetics in complex systems  . . . . . . 409--422
              Jianbin Zhang and   
                        Bo Zhou   On bicyclic graphs with minimal energies 423--431
          Eduardo A. Castro and   
Francisco M. Fernández and   
             Pablo R. Duchowicz   QSPR modeling of the enthalpy of
                                  formation based on Partial Order Ranking 433--441
       Alexandru T. Balaban and   
                 Milan Randi\'c   Partitioning of $ \pi $-electrons in
                                  rings of polycyclic conjugated
                                  hydrocarbons: Part 6. Comparison with
                                  other methods for estimating the local
                                  aromaticity of rings in polycyclic
                                  benzenoids . . . . . . . . . . . . . . . 443--453


Journal of Mathematical Chemistry
Volume 38, Number 1, July, 2005

         Gerald M. Maggiora and   
     Veerabahu Shanmugasundaram   An information-theoretic
                                  characterization of partitioned property
                                  spaces . . . . . . . . . . . . . . . . . 1--20
             I. I. Guseinov and   
                  B. A. Mamedov   Fast evaluation of molecular auxiliary
                                  functions $ A_\alpha $ and $ B_n $ by
                                  analytical relations . . . . . . . . . . 21--26
         Michael J. Bucknum and   
              Eduardo A. Castro   Towards a microscopic theory of the
                                  modulus of elasticity in crystalline
                                  covalent materials and a survey of
                                  potential superhard materials  . . . . . 27--42
            Roman F. Nalewajski   Entropy/information bond indices of
                                  molecular fragments  . . . . . . . . . . 43--66
            R. Varón and   
    M. García-Moreno and   
                 M. Ll. Amo and   
                  E. Valero and   
   F. García-Sevilla and   
        F. García-Molina   Time behaviour of the modifier involved
                                  in the general mechanism of Botts and
                                  Morales assuming rapid equilibrium in
                                  the modifier bindings  . . . . . . . . . 67--88
       Ramon Carbó-Dorca   Deduction of Heisenberg relations and
                                  Schrödinger equation through the
                                  structure of $N$-dimensional
                                  parameterized metric vector spaces . . . 89--101
               Sasan Karimi and   
                 Marty Lewinter   Interpolation of shared $ \pi $-bonds in
                                  cyclofusene  . . . . . . . . . . . . . . 103--106
                  Yan Huang and   
                 Xiao-Song Yang   Chaoticity of some chemical attractors:
                                  a computer assisted proof  . . . . . . . 107--117

Journal of Mathematical Chemistry
Volume 38, Number 2, August, 2005

                  Lemin Zhu and   
                 Xuncheng Huang   Relative positions of limit cycles in
                                  the continuous culture vessel with
                                  variable yield . . . . . . . . . . . . . 119--128
                   Zhang Shimin   The graphical representation of
                                  equilibrium for the isothermal and
                                  isobaric reactions of ideal gases  . . . 129--140
                   Zhang Shimin   The stability condition of phase
                                  equilibrium for various concentration
                                  variables  . . . . . . . . . . . . . . . 141--163
Mário N. Berberan-Santos   Analytical inversion of the Laplace
                                  transform without contour integration:
                                  application to luminescence decay laws
                                  and other relaxation functions . . . . . 165--173
                Shinsaku Fujita   Combinatorial enumeration of ethane
                                  derivatives as three-dimensional
                                  chemical structures, not as graphs. A
                                  systematic approach for enumerating and
                                  characterizing stereoisomers of tartaric
                                  acids and related compounds  . . . . . . 175--194
                 Teik-Cheng Lim   Correlation among parameters of the
                                  extended-Rydberg potential energy
                                  function . . . . . . . . . . . . . . . . 195--201
             Peter L. Simon and   
           Stephen K. Scott and   
        Serafim Kalliadasis and   
                 John H. Merkin   The effect of a radical scavenger on the
                                  propagation of flames in an
                                  exothermic-endothermic system  . . . . . 203--231
               Jianguo Qian and   
                     Fuji Zhang   On the number of Kekulé structures in
                                  capped zigzag nanotubes  . . . . . . . . 233--246
         Edgar Eduardo Daza and   
           Andrés Bernal   Energy bounds for isoelectronic
                                  molecular sets and the implicated order  247--263
Mário N. Berberan-Santos   Relation between the inverse Laplace
                                  transforms of $ I(t^\beta) $ and $ I(t)
                                  $: Application to the Mittag-Leffler and
                                  asymptotic inverse power law relaxation
                                  functions  . . . . . . . . . . . . . . . 265--270
                    A. Abad and   
              S. C. Cardona and   
           J. I. Torregrosa and   
            F. López and   
           J. Navarro-Laboulais   Flow analysis deconvolution for kinetic
                                  information reconstruction . . . . . . . 271--292
               Lusheng Wang and   
                 Fuji Zhang and   
                       Hao Zhao   On the ordering of benzenoid chains and
                                  cyclo-polyphenacenes with respect to
                                  their numbers of Clar aromatic sextets   293--309
             I. I. Guseinov and   
                  B. A. Mamedov   Use of analytical relations in
                                  evaluation of exponential integral
                                  functions  . . . . . . . . . . . . . . . 311--314

Journal of Mathematical Chemistry
Volume 38, Number 3, October, 2005

               Heping Zhang and   
                     Jinghua He   A comparison between $1$-factor count
                                  and resonant pattern count in plane
                                  non-bipartite graphs . . . . . . . . . . 315--324
        Rasesh R. Kotdawala and   
         Nikolaos Kazantzis and   
             Robert W. Thompson   An application of mean-field
                                  perturbation theory for the adsorption
                                  of polar molecules in nanoslit-pores . . 325--344
                Huiqing Liu and   
                     Mei Lu and   
                      Feng Tian   On the Randi\'c index  . . . . . . . . . 345--354
              F. Ivanauskas and   
               I. Kaunietis and   
           V. Laurinavicius and   
               J. Razumiene and   
                      R. Simkus   Computer simulation of the steady state
                                  currents at enzyme doped carbon paste
                                  electrodes . . . . . . . . . . . . . . . 355--366
                  H. Taseli and   
                       H. Alici   The scaled Hermite--Weber basis in the
                                  spectral and pseudospectral pictures . . 367--378
                   Boris Hollas   Asymptotically independent topological
                                  indices on random trees  . . . . . . . . 379--387
              Daniel A. Morales   The total $ \pi $-electron energy as a
                                  problem of moments: application of the
                                  Backus--Gilbert method . . . . . . . . . 389--397
             Xuncheng Huang and   
                      Lemin Zhu   A three-dimensional chemostat with
                                  quadratic yields . . . . . . . . . . . . 399--412
               Sasan Karimi and   
                 Marty Lewinter   Errata . . . . . . . . . . . . . . . . . 413--413

Journal of Mathematical Chemistry
Volume 38, Number 4, November, 2005

                M. G. Marmorino   Improvement of Weyl's Inequality . . . . 415--424
              R. Bruce King and   
               Mircea V. Diudea   From the Cube to the Dyck and Klein
                                  Tessellations: Implications for the
                                  Structures of Zeolite-like Carbon and
                                  Boron Nitride Allotropes . . . . . . . . 425--435
            R. Varón and   
    M. García-Moreno and   
    F. García-Molina and   
              M. E. Fuentes and   
                 E. Arribas and   
                 J. M. Yago and   
            M. Ll. Amo-Saus and   
                      E. Valero   Two New Regulatory Properties Arising
                                  from the Transient Phase Kinetics of
                                  Monocyclic Enzyme Cascades . . . . . . . 437--450
              Wai Chee Shiu and   
          Peter Che Bor Lam and   
                   Heping Zhang   $k$-resonance in Toroidal Polyhexes* . . 451--466
               Nguyen Huynh and   
             Nikolaos Kazantzis   Parametric Optimization of Digitally
                                  Controlled Nonlinear Reactor Dynamics
                                  using Zubov-like Functional Equations    467--487
                 I. I. Guseinov   Evaluation of Two- and Three-center
                                  Overlap Integrals Over Complete
                                  Orthonormal Sets of $ \Psi^\alpha $-ETOs
                                  using their Addition Theorems  . . . . . 489--493
                 Teik-Cheng Lim   Polynomial Forms of Typical Interatomic
                                  Potential Functions  . . . . . . . . . . 495--501
               Khaled Salem and   
                    Ivan Gutman   The Unfixed Subgraph of a Catacondensed
                                  Hexagonal System Obtained by Fixing an
                                  Alternating Set  . . . . . . . . . . . . 503--510
             I. I. Guseinov and   
                  B. A. Mamedov   Use of Recursion and Analytical
                                  Relations in Evaluation of
                                  Hypergeometric Functions Arising in
                                  Multicenter Integrals with Noninteger
                                  $n$ Slater Type Orbitals . . . . . . . . 511--517
  Myriam Segre de Giambiagi and   
Marçal Oliveira de Neto and   
Amarílis V. Finageiv de Neder   Cooperative Effect of CH$ \cdots $O
                                  Bonds in Models for Biological Systems   519--532
      Gholamreza Faridfathi and   
              Ramazan Sever and   
                    Metin Aktas   Supersymmetric Solutions of
                                  PT-/non-PT-symmetric and Non--Hermitian
                                  Central Potentials via Hamiltonian
                                  Hierarchy Method . . . . . . . . . . . . 533--540
                    A. Abad and   
              S. C. Cardona and   
           J. I. Torregrosa and   
            F. López and   
           J. Navarro-Laboulais   On Transfer Function Formalism for
                                  Chemical Reactor Monitoring by
                                  Continuous Flow Techniques . . . . . . . 541--564
                   S. Fraga and   
J. M. García de la Vega and   
                    E. S. Fraga   Molecular Schrödinger--Riccati
                                  Calculations: The Potential Energy Curve
                                  of the Hydrogen Molecule . . . . . . . . 565--573
             Xuncheng Huang and   
                      Lemin Zhu   A Three Dimensional Chemostat with
                                  Quadratic Yields . . . . . . . . . . . . 575--588
        H. Heiberg-Andersen and   
                A. T. Skjeltorp   Stability of Conjugated Carbon Nanocones 589--604
               M. I. Nelson and   
                    H. S. Sidhu   Analysis of a Chemostat Model with
                                  Variable Yield Coefficient . . . . . . . 605--615
              Tomislav Dosli\'c   Perfect Matchings in Bipartite Lattice
                                  Animals: Lower Bounds and Realizability  617--627
Mário N. Berberan-Santos   Properties of the Mittag-Leffler
                                  Relaxation Function  . . . . . . . . . . 629--635
            Telhat Özdogan   Reply to ``Comment on `Calculation of
                                  Two-center Nuclear Attraction Integrals
                                  over Integer and Noninteger
                                  $N$-Slater-type Orbitals in Nonlined-up
                                  Coordinate Systems'\,''  . . . . . . . . 637--640
     Mohammad Moharerrzadeh and   
          Pancracio Palting and   
             Lue-Yung Chow Chiu   Addition Theorem and Matrix Elements of
                                  Radiative Multipole Operators  . . . . . 641--656
                   J. H. Merkin   The Effect of an Electric Field on
                                  Reaction Fronts in Autocatalytic Systems 657--670
       Ramon Carbó-Dorca   Molecular Nuclear Fields: A Na\"\ive
                                  Perspective  . . . . . . . . . . . . . . 671--676
                     Mei Lu and   
             Lian-zhu Zhang and   
                      Feng Tian   On the Randi\'c Index of Acyclic
                                  Conjugated Molecules . . . . . . . . . . 677--684
              Wenyong Jiang and   
              Zhengxia Chen and   
                Yunhong Liu and   
                Haifeng Zou and   
                 Junfeng Li and   
               Hongyan Wang and   
                  Wenyong Jiang   Computer Simulation of Surface Tension
                                  for Complex Emulsion System  . . . . . . 685--693
              B. A. Mamedov and   
                  Z. Merdan and   
                  I. M. Askerov   Evaluation of Generalized Exponential
                                  Integrals using Multinomial Expansion
                                  Theorems . . . . . . . . . . . . . . . . 695--700
        Kazimierz Darowicki and   
          Waldemar Felisiak and   
              Artur Zieli\'nski   Application of Discrete Wavelet
                                  Transform in the Analysis of Nonlinear
                                  Chemical System  . . . . . . . . . . . . 701--711


Journal of Mathematical Chemistry
Volume 39, Number 1, January, 2006

             V. V. Gubernov and   
                H. S. Sidhu and   
                   G. N. Mercer   Combustion waves in a model with chain
                                  branching reaction . . . . . . . . . . . 1--14
          Dávid Papp and   
     Béla Vizvári   Effective solution of linear Diophantine
                                  equation systems with an application in
                                  chemistry  . . . . . . . . . . . . . . . 15--31
         Michael J. Bucknum and   
              Eduardo A. Castro   On topological form in structures  . . . 33--46
                 S. Gluzman and   
                  V. I. Yukalov   Self-similar power transforms in
                                  extrapolation problems . . . . . . . . . 47--56
     Mohammad Moharerrzadeh and   
          Pancracio Palting and   
             Lue-Yung Chow Chiu   Addition theorem and matrix elements of
                                  radiative multipole operators  . . . . . 57--72
             D. E. Devadoss and   
                  V. A. Volpert   Modeling isothermal free-radical frontal
                                  polymerization with gel effect using
                                  free volume theory, with and without
                                  inhibition . . . . . . . . . . . . . . . 73--105
              Jordi Mestres and   
             Gerald M. Maggiora   Putting molecular similarity into
                                  context: asymmetric indices for
                                  field-based similarity measures  . . . . 107--118
    Sarah Michele Rajtmajer and   
           Ante Milicevi\'c and   
         Nenad Trinajsti\'c and   
             Milan Randi\'c and   
              Damir Vukicevi\'c   On the complexity of Archimedean solids  119--132
                Yue-Ying Qi and   
               Xue-Shen Liu and   
               Xiao-Yan Liu and   
                   Pei-Zhu Ding   Ionization of $1$-D model atom in an
                                  intense laser field based on asymptotic
                                  boundary conditions and symplectic
                                  algorithm  . . . . . . . . . . . . . . . 133--149
         Tomislav P. Zivkovi\'c   Interaction of an isolated state with an
                                  infinite quantum system containing
                                  several one-parameter eigenvalue bands:
                                  II. time-dependent case  . . . . . . . . 151--176
                 Teik-Cheng Lim   Application of binomial coefficients in
                                  representing central difference solution
                                  to a class of PDE arising in chemistry   177--186
                   Zhang Shimin   A Generalized Formula to Predict the
                                  Direction of an Equilibrium Shift  . . . 187--199
       Christopher G. Jesudason   An Energy Interconversion Principle
                                  Applied in Reaction dynamics for the
                                  determination of equilibrium standard
                                  states . . . . . . . . . . . . . . . . . 201--230
              Wen-Huan Wang and   
                   An Chang and   
             Lian-Zhu Zhang and   
                  Dong-Qiang Lu   Unicyclic Hückel molecular graphs with
                                  minimal energy . . . . . . . . . . . . . 231--241

Journal of Mathematical Chemistry
Volume 39, Number 2, February, 2006

                  Guang-hui Cai   Moment inequalities and convergence
                                  rates in the strong laws for $
                                  \rho^-$-mixing random fields . . . . . . 243--251
                 I. I. Guseinov   One-range addition theorems for combined
                                  Coulomb and Yukawa like central and
                                  noncentral interaction potentials and
                                  their derivatives  . . . . . . . . . . . 253--258
                Ivan Gutman and   
           Miodrag Mateljevi\'c   Note on the Coulson integral formula . . 259--266
       Ramon Carbó-Dorca   A Discussion on the
                                  Einstein--Podolsky--Rosen (EPR) Effect
                                  in a Unique Wavefunction Quantum
                                  Mechanical Framework . . . . . . . . . . 267--279
             Xuncheng Huang and   
              Yuanming Wang and   
                      Lemin Zhu   Competition in the bioreactor with
                                  general quadratic yields when one
                                  competitor produces a toxin  . . . . . . 281--294
         Tomislav P. Zivkovi\'c   Interaction of an isolated state with an
                                  infinite quantum system containing
                                  several one-parameter eigenvalue bands:
                                  I. Time-independent case . . . . . . . . 295--344
                 R. Baronas and   
                   J. Kulys and   
                  F. Ivanauskas   Computational Modelling of Biosensors
                                  with Perforated and Selective Membranes  345--362
         Guillermo Restrepo and   
          Héber Mesa and   
      José L. Villaveces   On the Topological Sense of Chemical
                                  Sets . . . . . . . . . . . . . . . . . . 363--376
                  Yan Huang and   
                 Xiao-Song Yang   Numerical analysis on the complex
                                  dynamics in a chemical system  . . . . . 377--387
                 Weigen Yan and   
                  Yeong-Nan Yeh   Connections between Wiener index and
                                  matchings  . . . . . . . . . . . . . . . 389--399
         Guillermo Restrepo and   
          Eugenio J. Llanos and   
              Héber Mesa   Topological Space of the Chemical
                                  Elements and its Properties  . . . . . . 401--416
                      Dong Ruan   Two-boson Realizations of the Polynomial
                                  Angular Momentum Algebra and Some
                                  Applications . . . . . . . . . . . . . . 417--440
                   Zhang Shimin   Influence of Substance on the
                                  Equilibrium Translation Rate for the
                                  Isothermal and Isobaric Chemical
                                  Reactions of Ideal gases . . . . . . . . 441--450

Journal of Mathematical Chemistry
Volume 39, Number 3--4, May, 2006

               Chunli Zhang and   
                Xueshen Liu and   
                Peizhu Ding and   
                     Yueying Qi   The Enhancement of Efficiency of
                                  High-order Harmonic in Intense Laser
                                  Field Based on Asymptotic Boundary
                                  Conditions and Symplectic Algorithm  . . 451--463
                    Bo Zhou and   
                        Feng Li   On minimal energies of trees of a
                                  prescribed diameter  . . . . . . . . . . 465--473
        Emili Besalú and   
J. Vicente de. Julián-Ortiz and   
            Monica Iglesias and   
              Lionello Pogliani   An overlooked property of plot methods   475--484
  Jorge Ricardo Letelier D. and   
    Alejandro Toro-Labbé   The Linear Combination of Vibrational
                                  Wave Functions (LCVW) Method in a
                                  Morse--Gaussian Double Well Molecular
                                  Potential  . . . . . . . . . . . . . . . 485--494
   Ramon Carbó-Dorca and   
            Emili Besalú   Generation of Molecular Fields, Quantum
                                  Similarity Measures and Related
                                  Questions  . . . . . . . . . . . . . . . 495--510
                Vipin Kumar and   
                    A. K. Madan   Application of Graph Theory: Prediction
                                  of Cytosolic Phospholipase $ A_2 $
                                  Inhibitory Activity of Propan-$2$-ones   511--521
                 George Michael   On a Singular Sturm--Liouville Problem
                                  in the Theory of Molecular Vibrations    523--539
Alexandre Carlos Camacho Rodrigues   Extension of the modified Sanderson
                                  method to ternary mixed oxides derived
                                  from hydrotalcite-like compounds and its
                                  correlation to CO$_2$ (TPD-CO$_2$)
                                  desorption peak maxima . . . . . . . . . 541--549
       Ramon Carbó-Dorca   Descriptors and Probability
                                  Distributions in MO Theory: Weighted
                                  Mulliken Matrices and Molecular Quantum
                                  Similarity Measures  . . . . . . . . . . 551--591
               Sasan Karimi and   
                 Marty Lewinter   On the Properties of Convex Multilayered
                                  Cyclofusene  . . . . . . . . . . . . . . 593--596
             R. Bruce. King and   
               Mircea V. Diudea   The Chirality of Icosahedral Fullerenes:
                                  a Comparison of the Tripling (leapfrog),
                                  Quadrupling (chamfering), and Septupling
                                  (Capra) Transformations  . . . . . . . . 597--604
               Khaled Salem and   
          Hernán Abeledo   Alternative Integer--Linear-Programming
                                  Formulations of the Clar Problem in
                                  Hexagonal Systems  . . . . . . . . . . . 605--610
         Michael J. Bucknum and   
              Eduardo A. Castro   Hexagonite: A Hypothetical Organic
                                  Zeolite  . . . . . . . . . . . . . . . . 611--628
                 Jiawei Luo and   
                    Bo Liao and   
                   Renfa Li and   
                        Wen Zhu   RNA Secondary Structure $3$D Graphical
                                  Representation Without Degeneracy  . . . 629--636
                       O. Tapia   Can chemistry be derived from quantum
                                  mechanics? Chemical dynamics and
                                  structure  . . . . . . . . . . . . . . . 637--669


Journal of Mathematical Chemistry
Volume 40, Number 1, July, 2006

             J. Vigo-Aguiar and   
                     B. A. Wade   Preface  . . . . . . . . . . . . . . . . 1--2
      Ramón Escobedo and   
                Luis L. Bonilla   Numerical Methods for a Quantum
                                  Drift-diffusion Equation in
                                  Semiconductor Physics  . . . . . . . . . 3--13
     Manuel Urbano Cuadrado and   
Gonzalo Cerruela García and   
           Irene Luque Ruiz and   
Miguel Ángel Gómez-Nieto   A Method for Clustering and Screening of
                                  Long-dimensional Chemical Data Based on
                                  Fingerprints and Similarity Measurements 15--27
            L. Bayón and   
                 J. M. Grau and   
                 M. M. Ruiz and   
            P. M. Suárez   Optimization of SO$_2$ and NO$_x$
                                  Emissions in Thermal Plants  . . . . . . 29--41
                T. Levitina and   
             E. J. Brändas   Filter Diagonalization with Finite
                                  Fourier Transform Eigenfunctions . . . . 43--47
                  P. Alonso and   
                 R. Cortina and   
             I. Díaz and   
                     J. Ranilla   Analyzing Scalability of Neville
                                  Elimination  . . . . . . . . . . . . . . 49--61
M. Ángeles Pérez García   The Nosé-Hoover Thermostat in Molecular
                                  Dynamics for Nuclear Matter  . . . . . . 63--69
   Jesús Vigo-Aguiar and   
                  Higinio Ramos   A New Eighth-order $A$-stable Method for
                                  Solving Differential Systems Arising in
                                  Chemical Reactions . . . . . . . . . . . 71--83
            Dzevad Belki\'c and   
                 Karen Belki\'c   Mathematical Optimization of in vivo NMR
                                  Chemistry Through the Fast Padé
                                  Transform: Potential Relevance for Early
                                  Breast Cancer Detection by Magnetic
                                  Resonance Spectroscopy . . . . . . . . . 85--103

Journal of Mathematical Chemistry
Volume 40, Number 2, August, 2006

            Victor A. Nicholson   Twisted Surfaces . . . . . . . . . . . . 105--117
               Victor A. Snyder   Mass Variables and Chemical Potentials
                                  in the Gibbs and De Donder Formulations
                                  of Chemical Equilibrium  . . . . . . . . 119--134
                Huiqing Liu and   
              Xiangfeng Pan and   
                    Jun-Ming Xu   On the Randi\'c Index of Unicyclic
                                  Conjugated Molecules . . . . . . . . . . 135--143
                 Lijie Wang and   
                 Liqin Wang and   
            Shigeru Arimoto and   
                  Paul G. Mezey   Large-Scale Chirality Measures and
                                  General Symmetry Deficiency Measures for
                                  Functional Group Polyhedra of Proteins   145--153
               Darko Veljan and   
              Damir Vukicevi\'c   On Acyclic Molecular Graphs with
                                  Prescribed Numbers of Edges that Connect
                                  Vertices with given Degrees  . . . . . . 155--178
             I. I. Guseinov and   
                  B. A. Mamedov   Evaluation of the Boys Function using
                                  Analytical Relations . . . . . . . . . . 179--183
                    Ming Ji and   
                        Chun Li   TB-curve, a New $2$-D Graphical
                                  Representation of DNA Sequences  . . . . 185--193

Journal of Mathematical Chemistry
Volume 40, Number 3, October, 2006

                    T. E. Simos   Preface  . . . . . . . . . . . . . . . . 195--195
               Didier Begue and   
                Neil Gohaud and   
                 Ross Brown and   
                 Claude Pouchan   An single program multiple data strategy
                                  for calculation of anharmonic vibrations 197--211
Gonzalo Cerruela García and   
           Irene Luque Ruiz and   
Miguel Ángel Gómez-Nieto   Clustering of chemical databases by
                                  means of the projection of maximum
                                  overlapping sets similarity measurements
                                  onto multidimensional spaces . . . . . . 213--231
     Anastasios Haskopoulos and   
                George Maroulis   Interaction dipole moment in Rg--Xe (Rg
                                  = He, Ne, Ar, and Kr) heterodiatoms from
                                  conventional ab initio and density
                                  functional theory calculations . . . . . 233--241
                    Wei Hua and   
                Xueshen Liu and   
                    Peizhu Ding   Numerical solution for the
                                  Gross--Pitaevskii equation . . . . . . . 243--255
            Th. Monovasilis and   
             Z. Kalogiratou and   
            Th. Monovasilis and   
                    T. E. Simos   Trigonometrically fitted and
                                  exponentially fitted symplectic methods
                                  for the numerical integration of the
                                  Schrödinger equation  . . . . . . . . . . 257--267
               G. Psihoyios and   
                    T. E. Simos   The numerical solution of the radial
                                  Schrödinger equation via a
                                  trigonometrically fitted family of
                                  seventh algebraic order
                                  Predictor--Corrector methods . . . . . . 269--293
          Piotr Romiszowski and   
               Andrzej Sikorski   Properties of star-branched and linear
                                  chains in confined space: a computer
                                  simulation study . . . . . . . . . . . . 295--303
                    T. E. Simos   A four-step exponentially fitted method
                                  for the numerical solution of the
                                  Schrödinger equation  . . . . . . . . . . 305--318
                 Ming-Hu Wu and   
                   Wei-Dong Zou   Electronic structure of the organic
                                  half-metallic magnet:
                                  2-(5-pyrimidinyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-3-oxoimidazol-1-oxyl  319--325

Journal of Mathematical Chemistry
Volume 40, Number 4, November, 2006

         Michael J. Bucknum and   
              Eduardo A. Castro   On topological form in structures  . . . 327--340
         Michael J. Bucknum and   
              Eduardo A. Castro   Dynamic Elasticity of Cubic Diamond  . . 341--347
       Juliano B. Francisco and   
José Mario Martínez and   
        Leandro Martínez   Density-based Globally Convergent
                                  Trust-region Methods for Self-consistent
                                  Field Electronic Structure Calculations  349--377
                 Chunhui Lu and   
                 Weimin Guo and   
                Xiaofang Hu and   
                  Yang Wang and   
                  Chunsheng Yin   A Novel Lu Index to QSPR Studies of
                                  Aldehydes and Ketones  . . . . . . . . . 379--388


Journal of Mathematical Chemistry
Volume 41, Number 1, January, 2007

               Bijoy K. Dey and   
            Stuart Bothwell and   
                  Paul W. Ayers   Fast Marching Method for Calculating
                                  Reactive Trajectories for Chemical
                                  Reactions  . . . . . . . . . . . . . . . 1--25
          Georges H. Wagni\`ere   On the Chirality of Torus Curves and
                                  Knots  . . . . . . . . . . . . . . . . . 27--31
                   Aimei Yu and   
                    Xuezheng Lv   The Merrifield--Simmons Indices and
                                  Hosoya Indices of Trees with $k$ Pendant
                                  Vertices . . . . . . . . . . . . . . . . 33--43
                Huiqing Liu and   
                     Mei Lu and   
                      Feng Tian   Some upper bounds for the energy of
                                  graphs . . . . . . . . . . . . . . . . . 45--57
               Sasan Karimi and   
             Marty Lewinter and   
             Sudesh Kalyanswamy   On the equitability of
                                  multiply-connected monolayered
                                  cyclofusene  . . . . . . . . . . . . . . 59--61
               Hanyuan Deng and   
                 Shubo Chen and   
                      Jie Zhang   The PI index of phenylenes . . . . . . . 63--69
Mário N. Berberan-Santos   Computation of One-sided Probability
                                  Density Functions from their Cumulants   71--77
            Z. A. Anastassi and   
                    T. E. Simos   A Family of Exponentially-fitted
                                  Runge--Kutta Methods with Exponential
                                  Order Up to Three for the Numerical
                                  Solution of the Schrödinger Equation  . . 79--100

Journal of Mathematical Chemistry
Volume 41, Number 2, February, 2007

               Frantisek Kardos   Tetrahedral Fulleroids . . . . . . . . . 101--111
               Shi-Xing Liu and   
                Ya-Qiu Lang and   
               Xue-Shen Liu and   
               Pei-Zhu Ding and   
                    Yue-Ying Qi   Classical Dynamics of H$_2^+$ in an
                                  Intense Laser Field by Using the
                                  Symplectic Method  . . . . . . . . . . . 113--122
               Heping Zhang and   
                        Dong Ye   An Upper Bound for the Clar Number of
                                  Fullerene Graphs . . . . . . . . . . . . 123--133
                 Teik-Cheng Lim   Application of Extended-Rydberg
                                  Parameters for Extracting the $2$-Body
                                  Portion of Kaxiras--Pandey Function  . . 135--142
                 Xiufang Xu and   
              Guichang Wang and   
             Xuezhuang Zhao and   
                Yinming Pan and   
              Yunxiao Liang and   
                 Zhenfeng Shang   Fuzzy Symmetries for Linear Molecules
                                  and their Molecular Orbitals . . . . . . 143--160
             Lian-Zhu Zhang and   
                     Mei Lu and   
                      Feng Tian   Maximum Randi\'c index on Trees with
                                  $k$-pendant Vertices . . . . . . . . . . 161--171
                 Hongbo Hua and   
                   Hanyuan Deng   On Unicycle Graphs with Maximum and
                                  Minimum Zeroth-order General Randi\'c
                                  Index  . . . . . . . . . . . . . . . . . 173--181
              Tomislav Dosli\'c   Fullerene Graphs with Exponentially Many
                                  Perfect Matchings  . . . . . . . . . . . 183--192
         Pablo R. Duchowicz and   
         Michael J. Bucknum and   
              Eduardo A. Castro   New Molecular Descriptors based upon the
                                  Euler Equations for Chemical Graphs  . . 193--208

Journal of Mathematical Chemistry
Volume 41, Number 3, April, 2007

       Ramon Carbó-Dorca   On Einstein--Podolsky--Rosen Paradox . . 209--215
              Tomislav Dosli\'c   Global Forcing Number of Benzenoid
                                  Graphs . . . . . . . . . . . . . . . . . 217--229
                Shigeru Arimoto   Repeat Space Theory Applied to Carbon
                                  Nanotubes and Related Molecular
                                  Networks. I  . . . . . . . . . . . . . . 231--269
                 Songjun Li and   
                    Wuke Li and   
                   Xiao Hao and   
               Pingchu Chen and   
                   Guangfu Yang   High-throughput Screening: Establishing
                                  Mathematical and Physical Models for
                                  Bio-target Immobilization  . . . . . . . 271--282
          Olga Bodroza-Panti\'c   Algebraic Structure Count of Some Cyclic
                                  Hexagonal-Square Chains on the Möbius
                                  Strip  . . . . . . . . . . . . . . . . . 283--294
        Patrick De Leenheer and   
               David Angeli and   
              Eduardo D. Sontag   Monotone Chemical Reaction Networks  . . 295--314
            M. R. Darafsheh and   
                 Y. Farjami and   
              A. R. Ashrafi and   
                  M. Hamadanian   Full Non-rigid Group of Sponge and Pina  315--326
                M. G. Marmorino   Comment: Improvement of Weyl's
                                  Inequality . . . . . . . . . . . . . . . 327--327

Journal of Mathematical Chemistry
Volume 41, Number 4, May, 2007

          Sameer M. Ikhdair and   
                  Ramazan Sever   Bound Energy for the
                                  Exponential--Cosine-Screened Coulomb
                                  Potential  . . . . . . . . . . . . . . . 329--341
          Sameer M. Ikhdair and   
                  Ramazan Sever   Bound states of a more general
                                  exponential screened Coulomb potential   343--353
           Teodora Ivanciuc and   
           Douglas J. Klein and   
                Ovidiu Ivanciuc   Posetic Cluster Expansion for
                                  Substitution-Reaction Networks and
                                  Application to Methylated Cyclobutanes   355--379
                 Teik-Cheng Lim   On the Applicability of Mathematical
                                  Constants and Sequences in
                                  Intermolecular Potential Energy
                                  Functions  . . . . . . . . . . . . . . . 381--391
    F. García-Molina and   
         J. L. Muñoz and   
P. A. García-Ruíz and   
J. N. Rodríguez-López and   
F. García-Cánovas and   
                  J. Tudela and   
                R. Varón   A Further Step in the Kinetic
                                  Characterisation of the Tyrosinase
                                  Enzymatic System . . . . . . . . . . . . 393--406
                  H. Taseli and   
                       H. Alici   The Laguerre Pseudospectral Method for
                                  the Reflection Symmetric Hamiltonians on
                                  the Real Line  . . . . . . . . . . . . . 407--416
              A. V. Luzanov and   
                  Dmitry Nerukh   Simple One-electron Invariants of
                                  Molecular Chirality  . . . . . . . . . . 417--435


Journal of Mathematical Chemistry
Volume 42, Number 1, July, 2007

            Dzevad Belki\'c and   
                 Karen Belki\'c   Decisive role of mathematical methods in
                                  early cancer diagnostics: optimized
                                  Padé-based magnetic resonance
                                  spectroscopy . . . . . . . . . . . . . . 1--35
              Peter E. John and   
       Padmakar V. Khadikar and   
                    Jyoti Singh   A Method of Computing the PI Index of
                                  Benzenoid Hydrocarbons Using Orthogonal
                                  Cuts . . . . . . . . . . . . . . . . . . 37--45
                    Bo Liao and   
                   Renfa Li and   
                    Wen Zhu and   
                     Xuyu Xiang   On the Similarity of DNA Primary
                                  Sequences Based on $5$-D Representation  47--57
       Arteum D. Bochevarov and   
              C. David Sherrill   Some Simple Results Following from
                                  Löwdin's Partitioning Technique . . . . . 59--64
                 Xianyue Li and   
                   Heping Zhang   Characterizations for Some Types of DNA
                                  Graphs . . . . . . . . . . . . . . . . . 65--79
                    Jianxiu Hao   Estimate the Distance of Genome
                                  Rearrangements by Reversals  . . . . . . 81--92
                 Teik-Cheng Lim   Combination of pi and Golden Ratio in
                                  Lennard-Jones-Type and Morse-Type
                                  Potential Energy Functions . . . . . . . 93--101

Journal of Mathematical Chemistry
Volume 42, Number 2, August, 2007

                Ivan Gutman and   
                 Weigen Yan and   
              Yeong-Nan Yeh and   
                    Bo-Yin Yang   Generalized Wiener indices of zigzagging
                                  pentachains  . . . . . . . . . . . . . . 103--117
             Hongzhuan Wang and   
                   Hanyuan Deng   Unicycle Graphs with Maximum Generalized
                                  Topological Indices  . . . . . . . . . . 119--124
                Yanqiu Zeng and   
                     Fuji Zhang   Extremal Polyomino Chains on
                                  $k$-matchings and $k$-independent Sets   125--140
                     Al. Ivanov   The Structure of Chemical Particles  . . 141--152
               S. Sauerbrei and   
                    P. J. Plath   Diffusion Without Constraints  . . . . . 153--175
                 I. I. Guseinov   Combined Open Shell Hartree--Fock Theory
                                  of Atomic-Molecular and Nuclear Systems  177--189
        Feliksas Ivanauskas and   
            Aivaras Kareiva and   
                  Bogdan Lapcun   Diffusion and Reaction Rates of the
                                  Yttrium Aluminium Garnet Synthesis using
                                  Different Techniques . . . . . . . . . . 191--199
            Telhat Özdogan   Unified Treatment for Arbitrary-rank
                                  Cartesian Electric and Magnetic
                                  Multipole Moment Operators . . . . . . . 201--214
                Shinsaku Fujita   Sphericities of Double Cosets, Double
                                  Coset Representations, and Fujita's
                                  Proligand Method for Combinatorial
                                  Enumeration of Stereoisomers . . . . . . 215--263
             Xuezhuang Zhao and   
                 Xiufang Xu and   
              Guichang Wang and   
                Yinming Pan and   
             Zhenfeng Shang and   
                     Ruifang Li   The Fuzzy D2h-symmetries of Ethylene
                                  Tetra-halide Molecules and their
                                  Molecular Orbitals . . . . . . . . . . . 265--288

Journal of Mathematical Chemistry
Volume 42, Number 3, October, 2007

      Gholamreza Faridfathi and   
                  Ramazan Sever   Supersymmetric solutions of
                                  PT-/non-PT-symmetric and non-Hermitian
                                  screened Coulomb potential via
                                  Hamiltonian hierarchy inspired
                                  variational method . . . . . . . . . . . 289--296
                     Mei Lu and   
                      Jinwu Gao   On the Randi\'c Index of Quasi-tree
                                  Graphs . . . . . . . . . . . . . . . . . 297--310
              Wen-Huan Wang and   
                   An Chang and   
                  Dong-Qiang Lu   Unicyclic Graphs Possessing Kekulé
                                  Structures with Minimal Energy . . . . . 311--320
                 R. Baronas and   
              F. Ivanauskas and   
                       J. Kulys   Computational Modelling of the Behaviour
                                  of Potentiometric Membrane Biosensors    321--336
          Emin Öztekin and   
               Selda Özcan   Overlap Integrals Between Irregular
                                  Solid Harmonics and STOs Via the Fourier
                                  Transform Methods  . . . . . . . . . . . 337--351
   Balakrishnan Viswanathan and   
      Christopher J. Barden and   
                Russell J. Boyd   A Non--Born--Oppenheimer Self-consistent
                                  Field Method . . . . . . . . . . . . . . 353--365
         Michael J. Bucknum and   
              Eduardo A. Castro   Some Comments on the Matter Wave--Light
                                  Wave Hypothesis  . . . . . . . . . . . . 367--372
         Michael J. Bucknum and   
              Eduardo A. Castro   Some Comments on the Topological
                                  Features of Some $3$-, $4$-connected
                                  Networks and their Relationships with
                                  the Numbers $e$ and $ \pi $  . . . . . . 373--376
                 G. Indulal and   
                 A. Vijayakumar   Energies of some Non-regular Graphs  . . 377--386
              Cevdet Tezcan and   
                  Ramazan Sever   Exact Solutions of the Schrödinger
                                  Equation with Position-dependent
                                  Effective Mass via General Point
                                  Canonical Transformation . . . . . . . . 387--395
          Rados\law Szmytkowski   Recurrence and Differential Relations
                                  for Spherical Spinors  . . . . . . . . . 397--413
                 I. I. Guseinov   Expansion Formulae for Two-center
                                  Integer and Noninteger $n$ STO Charge
                                  Densities and their Use in Evaluation of
                                  Multi-center Integrals . . . . . . . . . 415--422
                    Jianping Ou   On Extremal Unicyclic Molecular Graphs
                                  with Prescribed Girth and Minimal Hosoya
                                  Index  . . . . . . . . . . . . . . . . . 423--432
       Padmakar V. Khadikar and   
                Jyoti Singh and   
                     Maya Ingle   Topological Estimation of Aromatic
                                  Stabilities of Polyacenes and Helicenes:
                                  Modeling of Resonance Energy and Benzene
                                  Character  . . . . . . . . . . . . . . . 433--446
          O. Sánchez and   
                 H. Herrero and   
                   S. Hoyas and   
                A. E. Mucientes   Mathematical Modeling of
                                  Ru(VI)-catalyzed Oxidation of Alcohols
                                  by Hexacyanoferrate(III) . . . . . . . . 447--459
          Sameer M. Ikhdair and   
                  Ramazan Sever   Approximate Eigenvalue and Eigenfunction
                                  Solutions for the Generalized Hulthén
                                  Potential with any Angular Momentum  . . 461--471
               Xiaoxia Wang and   
                   Xiaofeng Guo   On the Ordering of a Class of Graphs
                                  with Respect to their Matching Numbers   473--480
                Shinsaku Fujita   Group-theoretical Foundations for the
                                  Concept of Mandalas as Diagrammatical
                                  Expressions for Characterizing
                                  Symmetries of Stereoisomers  . . . . . . 481--534
            Th. Monovasilis and   
                    T. E. Simos   New Second-order Exponentially and
                                  Trigonometrically Fitted Symplectic
                                  Integrators for the Numerical Solution
                                  of the Time-independent Schrödinger
                                  Equation . . . . . . . . . . . . . . . . 535--545
                Junmeng Cai and   
                       Liqun Ji   Pattern Search Method for Determination
                                  of DAEM Kinetic Parameters from
                                  Nonisothermal TGA Data of Biomass  . . . 547--553
                 Shubo Chen and   
                   Hanyuan Deng   Extremal $ (n, n + 1)$-graphs with
                                  respect to zeroth-order general Randi\'c
                                  index  . . . . . . . . . . . . . . . . . 555--564
                  Zheng Yan and   
                Huiqing Liu and   
                      Heguo Liu   Sharp Bounds for the Second Zagreb Index
                                  of Unicyclic Graphs  . . . . . . . . . . 565--574
          Damir Vukieevi\'c and   
             Nenad Trinajsti\'c   On the Anti-forcing Number of Benzenoids 575--583
Mário N. Berberan-Santos   Expressing a Probability Density
                                  Function in Terms of another PDF: A
                                  Generalized Gram--Charlier Expansion . . 585--594
                  Liwei Liu and   
                  Tianming Wang   On 3D graphical representation of RNA
                                  secondary structures and their
                                  applications . . . . . . . . . . . . . . 595--602
               I. A. Howard and   
                C. Amovilli and   
              N. Gidopoulos and   
                    N. H. March   Exactly solvable model mimicking the
                                  H$_2$ molecule in the limit of large
                                  nuclear masses . . . . . . . . . . . . . 603--615
               Erwin Lijnen and   
           Arnout Ceulemans and   
          Patrick W. Fowler and   
                    Michel Deza   The Undecakisicosahedral Group and a
                                  $3$-regular Carbon Network of Genus $
                                  26$  . . . . . . . . . . . . . . . . . . 617--644
             Xuncheng Huang and   
                      Lemin Zhu   A note on competition in the bioreactor
                                  with toxin . . . . . . . . . . . . . . . 645--659
        Tamás Gál   The mathematics of functional
                                  differentiation under conservation
                                  constraint . . . . . . . . . . . . . . . 661--676
              B. A. Mamedov and   
                  Z. Merdan and   
                  I. M. Askerov   Evaluation of generalized exponential
                                  integrals using multinomial expansion
                                  theorems . . . . . . . . . . . . . . . . 677--677

Journal of Mathematical Chemistry
Volume 42, Number 4, November, 2007

                Haizhen Ren and   
                     Fuji Zhang   Double hexagonal chains with maximal
                                  Hosoya index and minimal
                                  Merrifield--Simmons index  . . . . . . . 679--690
           Jacques Gabarro-Arpa   A Central Partition of Molecular
                                  Conformational Space. III. Combinatorial
                                  Determination of the Volume Spanned by a
                                  Molecular System . . . . . . . . . . . . 691--706
        H. Heiberg-Andersen and   
                A. T. Skjeltorp   Spectra of Conic Carbon Radicals . . . . 707--727
                Xueliang Li and   
              Jianbin Zhang and   
                        Bo Zhou   On unicyclic conjugated molecules with
                                  minimal energies . . . . . . . . . . . . 729--740
            Alemdar Hasanov and   
                Safak Hasanoglu   Relationship between current response
                                  and time in ion transport problem
                                  including diffusion and convection. 1.
                                  An analytical approach . . . . . . . . . 741--751
              M. E. Fuentes and   
                  E. Valero and   
    M. García-Moreno and   
                   E. Vique and   
                R. Varón   Kinetic analysis of the mechanism of
                                  plasminogen activation by streptokinase  753--774
                Xueliang Li and   
              Jianbin Zhang and   
                        Bo Zhou   The spread of unicyclic graphs with
                                  given size of maximum matchings  . . . . 775--788
            R. Varón and   
           M. Garcia-Moreno and   
J. Masiá-Pérez and   
    F. García-Molina and   
F. García-Cánovas and   
                   E. Arias and   
                 E. Arribas and   
       F. García-Sevilla   An alternative analysis of enzyme
                                  systems based on the whole reaction
                                  time: evaluation of the kinetic
                                  parameters and initial enzyme
                                  concentration  . . . . . . . . . . . . . 789--813
          Miros\law Kwiatkowski   Employing the new computer LBET class
                                  models with multivariant fitting to the
                                  analysis of single and double adsorption
                                  isotherms generated by the selected
                                  classical equations in different
                                  relative pressures . . . . . . . . . . . 815--835
                 Shulin Sun and   
                    Lansun Chen   Dynamic behaviors of Monod type
                                  chemostat model with impulsive
                                  perturbation on the nutrient
                                  concentration  . . . . . . . . . . . . . 837--847
                    Jianxiu Hao   An algorithm for reversal median problem 849--857
       Christopher G. Jesudason   Model hysteresis dimer molecule I:
                                  Equilibrium properties . . . . . . . . . 859--891
       Christopher G. Jesudason   Model hysteresis dimer molecule II:
                                  deductions from probability profile due
                                  to system coordinates  . . . . . . . . . 893--908
           Gunnar Brinkmann and   
         Christian Grothaus and   
                    Ivan Gutman   Fusenes and benzenoids with perfect
                                  matchings  . . . . . . . . . . . . . . . 909--924
                Vipin Kumar and   
                    A. K. Madan   Application of graph theory: Models for
                                  prediction of carbonic anhydrase
                                  inhibitory activity of sulfonamides  . . 925--940
                  Jie Zhang and   
               Hanyuan Deng and   
                     Shubo Chen   Second order Randi\'c index of
                                  phenylenes and their corresponding
                                  hexagonal squeezes . . . . . . . . . . . 941--947
                Junmeng Cai and   
                    Fang He and   
                    Fusheng Yao   Nonisothermal $n$th-order DAEM equation
                                  and its parametric study --- use in the
                                  kinetic analysis of biomass pyrolysis    949--956
            Shou-Zhong Wang and   
                   Rong Si Chen   Regular generalized polyomino graphs . . 957--967
       J. Navarro-Laboulais and   
            F. López and   
           J. I. Torregrosa and   
              S. C. Cardona and   
                        A. Abad   Transient response, model structure and
                                  systematic errors in hybrid
                                  respirometers: structural
                                  identifiability analysis based on OUR
                                  and DO measurements  . . . . . . . . . . 969--990
                 I. I. Guseinov   Unified treatment of complete
                                  orthonormal sets of functions in
                                  coordinate, momentum and
                                  four-dimensional spaces and their
                                  expansion and one-range addition
                                  theorems . . . . . . . . . . . . . . . . 991--1001
     Dorota Bieli\'nska-Waz and   
                  Piotr Waz and   
               Subhash C. Basak   Similarity studies using statistical and
                                  genetical methods  . . . . . . . . . . . 1003--1013
                    Bo Liao and   
                    Wen Zhu and   
                   Pengcheng Li   On a four-dimensional representation of
                                  RNA secondary structures . . . . . . . . 1015--1022
                   A. Abbas and   
                 A. Bouabdellah   Theoretical description of the
                                  interactions between a mixture of vapors
                                  and a set of chemical sensors by
                                  variable temperature . . . . . . . . . . 1023--1030
            Shahram Yousefi and   
               Ali Reza Ashrafi   An exact expression for the Wiener index
                                  of a TUC$_4$C$_8$(R) nanotorus . . . . . 1031--1039
                Haizhen Ren and   
                     Fuji Zhang   Double hexagonal chains with minimal
                                  total $ \pi $-electron energy  . . . . . 1041--1056
                Wenshui Lin and   
                   Xiaofeng Guo   On the largest eigenvalues of trees with
                                  perfect matchings  . . . . . . . . . . . 1057--1067
                R. Naujikas and   
             A. Malinauskas and   
                  F. Ivanauskas   Modeling of electrocatalytic processes
                                  at conducting polymer modified
                                  electrodes . . . . . . . . . . . . . . . 1069--1084
                     Jo Fenstad   Deciphering the hidden Pascal code of
                                  Guggenheim's quasichemical model.
                                  Overcoming computational limitations by
                                  use of Pascal's triangle . . . . . . . . 1085--1100
                Uduzei F. Edgal   Partial nearest neighbor PDF for
                                  multi-component material systems . . . . 1101--1134
              Maya Mincheva and   
                   David Siegel   Nonnegativity and positiveness of
                                  solutions to mass action
                                  reaction-diffusion systems . . . . . . . 1135--1145


Journal of Mathematical Chemistry
Volume 43, Number 1, January, 2008

                     Al. Ivanov   Energy-time uncertainty relations and
                                  time operators . . . . . . . . . . . . . 1--11
                  Jie Zhang and   
                   Hanyuan Deng   Third order Randi\'c index of phenylenes 12--18
               Hanyuan Deng and   
                     Shubo Chen   PI indices of pericondensed benzenoid
                                  graphs . . . . . . . . . . . . . . . . . 19--25
                    Chun Li and   
                       Jun Wang   Similarity analysis of DNA sequences
                                  based on the generalized LZ complexity
                                  of (0,1)-sequences . . . . . . . . . . . 26--31
                 Lane Clark and   
                    Ivan Gutman   The exponent in the general Randi\'c
                                  index  . . . . . . . . . . . . . . . . . 32--44
              Wai Chee Shiu and   
                   Heping Zhang   A complete characterization for
                                  $k$-resonant Klein-bottle polyhexes  . . 45--59
                 Zikai Tang and   
                   Hanyuan Deng   The (n,n)-graphs with the first three
                                  extremal Wiener indices  . . . . . . . . 60--74
               Hanyuan Deng and   
                 Shubo Chen and   
                      Jie Zhang   The Merrifield--Simmons index in $ (n, n
                                  + 1)$-graphs . . . . . . . . . . . . . . 75--91
                Metin Aktas and   
                  Ramazan Sever   Effective mass Schrödinger equation for
                                  exactly solvable class of
                                  one-dimensional potentials . . . . . . . 92--100
                E. H. Flach and   
                 J. Norbury and   
                     S. Schnell   Limit cycles in the presence of
                                  convection: a first-order analysis . . . 101--110
           Patrick Bultinck and   
             Marcos Mandado and   
               Ricardo Mosquera   The pseudo-$ \pi $ method examined for
                                  the computation of multicenter
                                  aromaticity indices  . . . . . . . . . . 111--118
                   Hanyuan Deng   The smallest Hosoya index in $ (n, n +
                                  1)$-graphs . . . . . . . . . . . . . . . 119--133
                Zhongbin Qi and   
                   Heping Zhang   A note on the cyclical edge-connectivity
                                  of fullerene graphs  . . . . . . . . . . 134--140
                Shinsaku Fujita   Combinatorial enumeration of
                                  three-dimensional trees as
                                  stereochemical models of alkanes: an
                                  approach based on Fujita's proligand
                                  method and dual recognition as
                                  uninuclear and binuclear promolecules    141--201
             Hongzhuan Wang and   
                     Hongbo Hua   Unicycle graphs with extremal
                                  Merrifield--Simmons Index  . . . . . . . 202--209
               Fengyan Wang and   
               Guoping Pang and   
                    Lansun Chen   Study of a Monod--Haldene type food
                                  chain chemostat with pulsed substrate    210--226
       Zsófia Szalay and   
  Péter R. Surján   Distorted $s$-type orbitals: the H$^+_2$
                                  problem revisited  . . . . . . . . . . . 227--236
                      H. Taseli   On the special values of monic
                                  polynomials of hypergeometric type . . . 237--251
               V. N. Shulyk and   
             O. V. Klymenko and   
                     I. B. Svir   Numerical solution of stiff ODEs
                                  describing complex homogeneous chemical
                                  processes  . . . . . . . . . . . . . . . 252--264
               R. F. Nalewajski   Entropic bond indices from molecular
                                  information channels in orbital
                                  resolution: ground-state systems . . . . 265--284
                  Paul W. Ayers   The dependence on and continuity of the
                                  energy and other molecular properties
                                  with respect to the number of electrons  285--303
                 Teik-Cheng Lim   Potential energy function based on the
                                  narcissus constant, its square and its
                                  cube . . . . . . . . . . . . . . . . . . 304--313
Péter Szakács and   
  Péter R. Surján   Iterative solution of Bloch-type
                                  equations: stability conditions and
                                  chaotic behavior . . . . . . . . . . . . 314--327
                    Jianping Ou   On acyclic molecular graphs with maximal
                                  Hosoya index, energy, and short diameter 328--337
                 Shulin Sun and   
                    Lansun Chen   Complex dynamics of a chemostat with
                                  variable yield and periodically
                                  impulsive perturbation on the substrate  338--349
María F. González and   
      Xavier Giménez and   
     Javier González and   
             Josep Maria Bofill   Effective potential, Bohm's potential
                                  plus classical potential, analysis of
                                  quantum transmission . . . . . . . . . . 350--364
                  Huimin Li and   
               Xiaoming Bai and   
                 Xiao-Song Yang   Stability results on a chemical system   365--374
                  Guang-hui Cai   Estimation of partial linear
                                  error-in-variables models for $ \rho^-
                                  $-mixing dependence data . . . . . . . . 375--385
                  Ray Hefferlin   Discrete vector calculus on periodic
                                  systems of atoms and molecules . . . . . 386--394
            Dzevad Belki\'c and   
                 Karen Belki\'c   Mathematical modeling of an NMR
                                  chemistry problem in ovarian cancer
                                  diagnostics  . . . . . . . . . . . . . . 395--425

Journal of Mathematical Chemistry
Volume 43, Number 2, February, 2008

                 I. I. Guseinov   Use of Cartesian coordinates in
                                  evaluation of multicenter multielectron
                                  integrals over Slater type orbitals and
                                  their derivatives  . . . . . . . . . . . 427--434
             Chun-Sheng Jia and   
             Liang-Zhong Yi and   
                         Yu Sun   Position-dependent effective mass
                                  Schrödinger equations for PT-symmetric
                                  potentials . . . . . . . . . . . . . . . 435--446
               Mingjing Sun and   
                    Lansun Chen   Analysis of the dynamical behavior for
                                  enzyme-catalyzed reactions with
                                  impulsive input  . . . . . . . . . . . . 447--456
               Hongwei Wang and   
                    Dong Ye and   
               Heping Zhang and   
                   Hongwei Wang   The forcing number of toroidal polyhexes 457--475
                    Feng Li and   
                        Bo Zhou   Minimal energy of unicyclic graphs of a
                                  given diameter . . . . . . . . . . . . . 476--484
             Xuezhuang Zhao and   
              Guichang Wang and   
                 Xiufang Xu and   
                Yinming Pan and   
                 Ruifang Li and   
            Zhengfeng Shang and   
                     Zucheng Li   The fuzzy $ D_{6h} $-symmetries of
                                  azines molecules and their molecular
                                  orbitals . . . . . . . . . . . . . . . . 485--507
            Ernesto Estrada and   
             Adelio R. Matamala   GTI-space: the space of generalized
                                  topological indices  . . . . . . . . . . 508--517
         Tomislav P. Zivkovi\'c   Interaction of a finite quantum system
                                  with an infinite quantum system that
                                  contains a single one-parameter
                                  eigenvalue band  . . . . . . . . . . . . 518--600
               Fengyan Wang and   
               Guoping Pang and   
                        Jin Hui   Analysis of a Monod--Haldene type food
                                  chain chemostat with seasonally variably
                                  pulsed input and washout . . . . . . . . 601--619
         Pablo R. Duchowicz and   
          Eduardo A. Castro and   
  Francisco M. Fernández   Application of a novel ranking approach
                                  in QSPR--QSAR  . . . . . . . . . . . . . 620--636
                Junmeng Cai and   
                    Ronghou Liu   Dependence of the frequency factor on
                                  the temperature: a new integral method
                                  of nonisothermal kinetic analysis  . . . 637--646
              Tomislav Dosli\'c   Saturation number of fullerene graphs    647--657
                Shigeru Arimoto   Repeat space theory applied to carbon
                                  nanotubes and related molecular
                                  networks. II . . . . . . . . . . . . . . 658--673
             Milan Randi\'c and   
                 Jure Zupan and   
                 Tomaz Pisanski   On representation of DNA by line
                                  distance matrix  . . . . . . . . . . . . 674--692
                Jianfeng He and   
                        Jing Li   The reaction probability and the
                                  reaction cross-section of the N($^4$ S)
                                  + O$_2$ (X $^3 \Sigma_g^-$) $ \to $
                                  NO(X$^2 \Pi $) + O($^3$P) reaction . . . 693--700
              Katrin Peuker and   
 María Belén Ruiz   Analytical evaluation of three-center
                                  nuclear-attraction integrals over
                                  $s$-Slater orbitals for asymmetrical
                                  conformations of the centers . . . . . . 701--712
                    Ji-Ming Guo   Sharp upper bounds for total $ \pi
                                  $-electron energy of alternant
                                  hydrocarbons . . . . . . . . . . . . . . 713--718
          Damir Vukicevi\'c and   
             Nenad Trinajsti\'c   On the anti-Kekulé number and
                                  anti-forcing number of cata-condensed
                                  benzenoids . . . . . . . . . . . . . . . 719--726
                Maolin Wang and   
                 Hongbo Hua and   
                  Dongdong Wang   The first and second largest
                                  Merrifield--Simmons indices of trees
                                  with prescribed pendent vertices . . . . 727--736
                 Hongbo Hua and   
                Maolin Wang and   
                 Hongzhuan Wang   On zeroth-order general Randi\'c index
                                  of conjugated unicyclic graphs . . . . . 737--748
              Ramazan Sever and   
            Mahmut Bucurgat and   
              Cevdet Tezcan and   
            Özlem Yesiltas   Bound state solution of the Schrödinger
                                  equation for Mie potential . . . . . . . 749--755
                 Milan Randi\'c   On a geometry-based approach to protein
                                  sequence alignment . . . . . . . . . . . 756--772
       Alexandru T. Balaban and   
             Milan Randi\'c and   
              Damir Vukicevi\'c   Partition of $ \pi $-electrons between
                                  faces of polyhedral carbon aggregates    773--779
            Roman F. Nalewajski   Chemical bonds through probability
                                  scattering: Information channels for
                                  intermediate-orbital stages  . . . . . . 780--830
                     Hongbo Hua   Hosoya index of unicyclic graphs with
                                  prescribed pendent vertices  . . . . . . 831--844
              Ramazan Sever and   
              Cevdet Tezcan and   
                Metin Aktas and   
            Özlem Yesiltas   Exact solution of Schrödinger equation
                                  for Pseudoharmonic potential . . . . . . 845--851
                 Shoujun Xu and   
                   Heping Zhang   Generalized Hosoya polynomials of
                                  hexagonal chains . . . . . . . . . . . . 852--863
                   Yi Zhang and   
                       Jun Wang   Volatilities of codons and its
                                  application in similarity analysis of
                                  biological sequences . . . . . . . . . . 864--873
                Mary A. Cox and   
           Thomas S. Hughes and   
   Joanna A. Ellis-Monaghan and   
          Kathleen R. Mondanaro   Hydrocarbon links in an octet truss  . . 874--891
               Sasan Karimi and   
             Marty Lewinter and   
             Sudesh Kalyanswamy   Bilayered cyclofusene  . . . . . . . . . 892--900

Journal of Mathematical Chemistry
Volume 43, Number 3, March, 2008

               Guoping Pang and   
               Fengyan Wang and   
                    Lansun Chen   Study of Lotka--Volterra food chain
                                  chemostat with periodically varying
                                  dilution rate  . . . . . . . . . . . . . 901--913
                Junmeng Cai and   
                    Ronghou Liu   Kinetic analysis of solid-state
                                  reactions: errors involved in the
                                  determination of the kinetic parameters
                                  calculated by one type of integral
                                  methods  . . . . . . . . . . . . . . . . 914--920
        Özlem Yesiltas and   
                  Ramazan Sever   Exponential type complex and
                                  non-Hermitian potentials within quantum
                                  Hamilton--Jacobi formalism . . . . . . . 921--931
                Fenglan Bai and   
                  Dachao Li and   
                  Tianming Wang   A new mapping rule for RNA secondary
                                  structures with its applications . . . . 932--943
      Cüneyt Berkdemir and   
             Ayse Berkdemir and   
                  Ramazan Sever   Shape-invariance approach and
                                  Hamiltonian hierarchy method on the
                                  Woods--Saxon potential for $ \ell \neq 0
                                  $ states . . . . . . . . . . . . . . . . 944--954
                  Yue Jiang and   
                         Mei Lu   On the connectivity index of trees . . . 955--965
                M. G. Marmorino   Alternatives to Bazley's special choice
                                  for eigenvalue lower bounds  . . . . . . 966--975
       Christopher G. Jesudason   The form of the rate constant for
                                  elementary reactions at equilibrium from
                                  MD: framework and proposals for
                                  thermokinetics . . . . . . . . . . . . . 976--1023
                 I. I. Guseinov   On the unified treatment of complete
                                  orthonormal sets of functions in
                                  coordinate, momentum, and four
                                  dimensional spaces and their expansion
                                  and one-range addition theorems  . . . . 1024--1031
             C. Della Volpe and   
                      S. Siboni   Principal component analysis and
                                  multicomponent surface free energy
                                  theories . . . . . . . . . . . . . . . . 1032--1051
                   Jing Guo and   
                Xueshen Liu and   
                   Bing Yan and   
                    Peizhu Ding   Classical dynamics of $3$D Hydrogen
                                  molecular ion in intense laser fields    1052--1068
   Ramon Carbó-Dorca and   
               Patrick Bultinck   Mathematical aspects of the LCAO MO
                                  first order density function (3): A
                                  general localization procedure . . . . . 1069--1075
       Ramon Carbó-Dorca   Mathematical aspects of the LCAO MO
                                  first order density function (1): atomic
                                  partition, metric structure and
                                  practical applications . . . . . . . . . 1076--1101
       Ramon Carbó-Dorca   Mathematical aspects of the LCAO MO
                                  first order density function (2):
                                  Relationships between density functions  1102--1118
            B. C. Sanctuary and   
                    F. P. Temme   Indistinguishability in DR $n$-fold
                                  point-sets & their $ \mathcal
                                  {S}_n$-invariant dual projective
                                  mappings: limitations imposed on
                                  Racah--Wigner algebras for Liouville
                                  spin dynamics of $ [A]_n$ $X$
                                  multi-invariant NMR systems  . . . . . . 1119--1126
                Junmeng Cai and   
                Ronghou Liu and   
                       Fei Shen   Improved version of Doyle integral
                                  method for nonisothermal kinetics of
                                  solid-state reactions  . . . . . . . . . 1127--1133
                      Jisun Lim   Stability of solutions to a reaction
                                  diffusion system based upon chemical
                                  reaction kinetics  . . . . . . . . . . . 1134--1140
             Xuezhuang Zhao and   
            Zhengfeng Shang and   
              Guichang Wang and   
                 Xiufang Xu and   
                 Ruifang Li and   
                Yinming Pan and   
                     Zucheng Li   Fuzzy space periodic symmetries for
                                  polyynes and their cyano-compounds . . . 1141--1162
                    Damian Trif   Matlab package for the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1163--1176
              Chun-xin Yuan and   
                 Li-wei Liu and   
             Tian-ming Wang and   
                        Chun Li   On property of the invariant of
                                  graphical representations of DNA
                                  sequences  . . . . . . . . . . . . . . . 1177--1183
                Jianfeng He and   
                        Jing Li   The QCT calculation of the rate
                                  constants for the N($^4$S) + O$_2$ (X$^3
                                  \Sigma_g^-$) $ \to $ NO(X$^2 \Pi $) +
                                  O($^3$P) reaction  . . . . . . . . . . . 1184--1192
                Junmeng Cai and   
                    Ronghou Liu   An improved version of
                                  Junmeng--Fang--Weiming--Fusheng
                                  approximation for the temperature
                                  integral . . . . . . . . . . . . . . . . 1193--1198
                    Huiqing Liu   The proof of a conjecture concerning
                                  acyclic molecular graphs with maximal
                                  Hosoya index and diameter $4$  . . . . . 1199--1206
                 Genyuan Li and   
            Herschel Rabitz and   
                  Jishan Hu and   
                 Zheng Chen and   
                     Yiguang Ju   Regularized random-sampling high
                                  dimensional model representation
                                  (RS-HDMR)  . . . . . . . . . . . . . . . 1207--1232
              Lionello Pogliani   Core electrons and hydrogen atoms in
                                  chemical graph theory  . . . . . . . . . 1233--1255
                 Hong Zhang and   
                    Lansun Chen   Toxic action and antibiotic in the
                                  chemostat: permanence and extinction of
                                  a model with functional response . . . . 1256--1272
                  Houqin Su and   
             Xuncheng Huang and   
             Xuncheng Huang and   
                    Xiaoning Xu   Global stability of a three-dimensional
                                  bio-reactor with inhibition responses    1273--1284
          Miros\law Kwiatkowski   Employing the new computer LBET class
                                  models with multivariant fitting to the
                                  analysis of single and double adsorption
                                  isotherms generated by the selected
                                  classical equations in different
                                  relative pressures . . . . . . . . . . . 1285--1285
          Georges H. Wagni\`ere   On the chirality of torus curves and
                                  knots  . . . . . . . . . . . . . . . . . 1286--1286

Journal of Mathematical Chemistry
Volume 43, Number 4, May, 2008

   Dorota Bieli\'nska-W\kaz and   
                    Piotr W\kaz   Correlations in spectral statistics  . . 1287--1300
        Izabela K. Zawadzka and   
            Jacek A. Soroka and   
           Marta J. Sawicka and   
           Monika G\kasiorowska   An attempt to separate $ A \to B $
                                  process spectra. SEparation by MInimum
                                  overLApping Method (SEMILAM) . . . . . . 1301--1317
       Morten Gram Pedersen and   
      Alberto Maria Bersani and   
                 Enrico Bersani   Quasi steady-state approximations in
                                  complex intracellular signal
                                  transduction networks --- a word of
                                  caution  . . . . . . . . . . . . . . . . 1318--1344
                 Teik-Cheng Lim   Connection between the Ogilvie and the
                                  Murrell--Sorbie potential energy
                                  functions  . . . . . . . . . . . . . . . 1345--1354
               Murad Banaji and   
                Stephen Baigent   Electron transfer networks . . . . . . . 1355--1370
               Guoping Pang and   
               Yanlai Liang and   
                   Fengyan Wang   Analysis of Monod type food chain
                                  chemostat with $k$-times periodically
                                  pulsed input . . . . . . . . . . . . . . 1371--1388
                Maolin Wang and   
                 Hongbo Hua and   
                  Dongdong Wang   Minimal energy on a class of graphs  . . 1389--1402
      Víctor Delgado and   
               Rodolfo Figueroa   Existence, uniqueness, and calculation
                                  of the physically acceptable solution of
                                  a particular case of the Sherman
                                  equations  . . . . . . . . . . . . . . . 1403--1421
              Tomislav Dosli\'c   On the existence of multiply connected
                                  monolayered cyclofusenes with given
                                  parameters . . . . . . . . . . . . . . . 1422--1428
               Chunli Zhang and   
                Xueshen Liu and   
                    Peizhu Ding   The quantitative analysis of enhancement
                                  of high-order harmonics in two-color
                                  intense laser fields . . . . . . . . . . 1429--1436
   Mario N. Berberan-Santos and   
          Evgeny N. Bodunov and   
              Lionello Pogliani   The van der Waals equation: analytical
                                  and approximate solutions  . . . . . . . 1437--1457
            Safak Hasanoglu and   
                     Arzu Erdem   Relationship between current response
                                  and time in ion transport problem
                                  including diffusion and convection. 2.
                                  Numerical approach . . . . . . . . . . . 1458--1469
               Fengyan Wang and   
               Shuwen Zhang and   
                   Guoping Pang   Analysis of a Tessiet type food chain
                                  chemostat with $k$-times periodically
                                  pulsed input . . . . . . . . . . . . . . 1470--1488
          Duangkamon Baowan and   
                  James M. Hill   Equilibrium locations for nested carbon
                                  nanocones  . . . . . . . . . . . . . . . 1489--1504
               Marco Maioli and   
      Károly Micskei and   
           Luciano Caglioti and   
             Claudia Zucchi and   
             Gyula Pályi   Evolution of chirality in consecutive
                                  asymmetric autocatalytic reaction cycles 1505--1515
              F. Ivanauskas and   
               I. Kaunietis and   
           V. Laurinavicius and   
               J. Razumiene and   
                      R. Simkus   Apparent Michaelis constant of the
                                  enzyme modified porous electrode . . . . 1516--1526
             I. I. Guseinov and   
                  B. A. Mamedov   Accurate evaluation of overlap integrals
                                  of Slater type orbitals with noninteger
                                  principal quantum numbers using complete
                                  orthonormal sets of $ \Psi^{\alpha }$-
                                  exponential type orbitals  . . . . . . . 1527--1532
              Tonghua Zhang and   
       Moses O. Tadé and   
                Yu-Chu Tian and   
               Yanduo Zhang and   
                    Johan Utomo   Wavelet approach incorporated with
                                  optimization for solving stiff systems   1533--1548
           Irene Luque Ruiz and   
     Manuel Urbano-Cuadrado and   
Miguel Ángel Gómez-Nieto   Approximate similarity and QSAR in the
                                  study of spirosuccinimide type aldose
                                  reductase inhibitors . . . . . . . . . . 1549--1559
   Dorota Bieli\'nska-W\kaz and   
             Wies\law Nowak and   
           Lukasz Peplowski and   
                Piotr W\kaz and   
           Subhash C. Basak and   
           Ramanathan Natarajan   Statistical spectroscopy as a tool for
                                  the study of molecular similarity  . . . 1560--1572
                 Teik-Cheng Lim   Improved long range relationship between
                                  parameters of the Morse and Rydberg
                                  potential functions  . . . . . . . . . . 1573--1577


Journal of Mathematical Chemistry
Volume 44, Number 1, July, 2008

              Tomislav Dosli\'c   Leapfrog fullerenes have many perfect
                                  matchings  . . . . . . . . . . . . . . . 1--4
                  R. Bruce King   The group-theoretical structure of the
                                  atomic $g$ shell: connection with the
                                  alternating group $ A_6 $ as $ L_2(9) $  5--19
       Vassilios Fessatidis and   
             Jay D. Mancini and   
            Samuel P. Bowen and   
             Mauricio Campuzano   Zero point energy of the Pullen--Edmonds
                                  Hamiltonian  . . . . . . . . . . . . . . 20--27
            E. Öztekin and   
                  S. Özcan   Evaluation of recurrence relationships
                                  and numerical solutions for finite
                                  rotation matrix elements by using
                                  auxiliary functions  . . . . . . . . . . 28--45
             Xuezhuang Zhao and   
             Zhenfeng Shang and   
                 Zucheng Li and   
                Hongwei Sun and   
                   Lan Chen and   
              Guichang Wang and   
                 Xiufang Xu and   
                 Ruifang Li and   
                    Yinming Pan   The fuzzy symmetries for linear
                                  tri-atomic $ {\rm B} \cdots {\rm A}
                                  \cdots {\rm C} $ dynamic systems . . . . 46--74
              Hari Pulapaka and   
                David R. Gibson   An efficient algorithm for chemical
                                  fingerprinting . . . . . . . . . . . . . 75--87
               Josef Paldus and   
       Gabriela Thiamová   Approximate symmetry-breaking in the
                                  independent particle model of monocyclic
                                  completely conjugated polyenes . . . . . 88--120
           Frantisek Kardos and   
               Riste Skrekovski   Cyclic edge-cuts in fullerene graphs . . 121--132
            Alemdar Hasanov and   
                Safak Hasanoglu   Analytical formulaes and comparative
                                  analysis for linear models in
                                  chronoamperometry under conditions of
                                  diffusion and migration  . . . . . . . . 133--141
              Richard Sharp and   
                Abhra Mitra and   
                Herschel Rabitz   Principles for determining mechanistic
                                  pathways from observable quantum control
                                  data . . . . . . . . . . . . . . . . . . 142--171
              Xingchang Liu and   
               Xiaofan Yang and   
                  Yuan Yan Tang   Molecular solution to the optimal linear
                                  arrangement problem based on DNA
                                  computation  . . . . . . . . . . . . . . 172--183
             Saralees Nadarajah   Models for Mandel's formula  . . . . . . 184--196
                 I. I. Guseinov   Unified treatment of complete
                                  orthonormal sets for exponential type
                                  vector orbitals of particles with spin 1
                                  in coordinate, momentum and
                                  four-dimensional spaces  . . . . . . . . 197--205
                Yusen Zhang and   
                    Mingshu Tan   Visualization of DNA sequences based on
                                  $3$DD-Curves . . . . . . . . . . . . . . 206--216
               Shuwen Zhang and   
                      Dejun Tan   Study of a chemostat model with
                                  Beddington--DeAngelis functional
                                  response and pulsed input and washout at
                                  different times  . . . . . . . . . . . . 217--227
       Ramon Carbó-Dorca   A quantum similarity matrix (QSM) Aufbau
                                  procedure  . . . . . . . . . . . . . . . 228--234
                    Bo Zhou and   
             Nenad Trinajsti\'c   On reciprocal molecular topological
                                  index  . . . . . . . . . . . . . . . . . 235--243
           Gheorghe Craciun and   
                  Casian Pantea   Identifiability of chemical reaction
                                  networks . . . . . . . . . . . . . . . . 244--259
               Amlan K. Roy and   
         Abraham F. Jalbout and   
                Emil I. Proynov   Accurate calculation of the bound states
                                  of Hellmann potential  . . . . . . . . . 260--269
               Heping Zhang and   
                        Dong Ye   $k$-resonant toroidal polyhexes  . . . . 270--285
       Ramon Carbó-Dorca   Riemannian three dimensional molecular
                                  spaces . . . . . . . . . . . . . . . . . 286--300

Journal of Mathematical Chemistry
Volume 44, Number 2, August, 2008

                Huiqing Liu and   
                     Mei Lu and   
                      Feng Tian   On the Randi\'c Index  . . . . . . . . . 301--310
                  Paul W. Ayers   Constraints for hierarchies of many
                                  electron distribution functions  . . . . 311--323
           R. F. Nalewajski and   
               D. Blazewicz and   
                      J. Mrozek   Compliance approach to coupling between
                                  electronic and geometric structures of
                                  open and closed molecular systems  . . . 325--364
              B. A. Mamedov and   
                  H. Koç   Calculation of two-center overlap
                                  integral in molecular coordinate system
                                  over Slater type orbital using Löwdin $
                                  \alpha $-radial and Guseinov
                                  rotation-angular functions . . . . . . . 365--372
       Ramon Carbó-Dorca   Smooth function topological structure
                                  descriptors based on graph-spectra . . . 373--378
                 E. Arribas and   
              H. Bisswanger and   
             A. Sotos-Lomas and   
           M. Garcia-Moreno and   
          F. Garcia-Canovas and   
            J. Donoso-Pardo and   
  F. Muñoz-Izquierdo and   
                       R. Varon   A method, based on statistical moments,
                                  to evaluate the kinetic parameters
                                  involved in unstable enzyme systems  . . 379--404
                Haiyan Chen and   
                     Fuji Zhang   Resistance distance local rules  . . . . 405--417
            Roman F. Nalewajski   Entropic bond-descriptors of molecular
                                  information systems in local resolution  419--445
                    T. E. Simos   A family of four-step
                                  trigonometrically-fitted methods and its
                                  application to the Schrödinger equation   447--466
               Guoping Pang and   
                    Lansun Chen   Analysis of a Beddington--DeAngelis food
                                  chain chemostat with periodically
                                  varying substrate  . . . . . . . . . . . 467--481
                    T. E. Simos   Closed Newton--Cotes
                                  trigonometrically-fitted formulae of
                                  high order for the numerical integration
                                  of the Schrödinger equation . . . . . . . 483--499
              Tonghua Zhang and   
                Yu-Chu Tian and   
           Moses O. Tadé   Wavelet-based collocation method for
                                  stiff systems in process engineering . . 501--513
          Duangkamon Baowan and   
               Barry J. Cox and   
                  James M. Hill   Toroidal molecules formed from three
                                  distinct carbon nanotubes  . . . . . . . 515--527
              R. M. Velasco and   
                F. J. Uribe and   
        E. Pérez-Chavela   Stratospheric ozone dynamics according
                                  to the Chapman mechanism . . . . . . . . 529--539
         Pablo R. Duchowicz and   
    Martín G. Vitale and   
              Eduardo A. Castro   Partial Order Ranking for the aqueous
                                  toxicity of aromatic mixtures  . . . . . 541--549
                Junmeng Cai and   
                Ronghou Liu and   
                   Caixia Huang   Kinetic analysis of nonisothermal
                                  solid-state reactions: determination of
                                  the kinetic parameters by means of a
                                  nonlinear regression method  . . . . . . 551--558
               Haruo Hosoya and   
                    Ivan Gutman   Kekulé structures of hexagonal
                                  chains-some unusual connections  . . . . 559--568
                   Jun Wang and   
                       Yi Zhang   Mathematical relations between codon
                                  bias indexes and their applications  . . 569--575
         Guillermo Restrepo and   
         Rainer Brüggemann   Dominance and separability in posets,
                                  their application to isoelectronic
                                  species with equal total nuclear charge  577--602
                 I. I. Guseinov   Application of combined
                                  Hartree--Fock--Roothaan theory to
                                  molecules with arbitrary number of
                                  closed and open shells . . . . . . . . . 603--609
                    Bo Zhou and   
               Xiaochun Cai and   
             Nenad Trinajsti\'c   On Harary index  . . . . . . . . . . . . 611--618
             Saralees Nadarajah   Letter to the Editor . . . . . . . . . . 619--620

Journal of Mathematical Chemistry
Volume 44, Number 3, October, 2008

       Ramon Carbó-Dorca   Diagonal coefficient representation of
                                  density functions and quantum similarity
                                  measures . . . . . . . . . . . . . . . . 621--627
       Ramon Carbó-Dorca   Molecular quantum similarity measures in
                                  Minkowski metric vector semispaces . . . 628--636
               Mingjing Sun and   
               Yuanshun Tan and   
                    Lansun Chen   Dynamical behaviors of the Brusselator
                                  system with impulsive input  . . . . . . 637--649
       Yovani Marrero-Ponce and   
          Francisco Torrens and   
Ramón García-Domenech and   
    Sadiel E. Ortega-Broche and   
        Vicente Romero Zaldivar   Novel $2$D TOMOCOMD--CARDD molecular
                                  descriptors: atom-based stochastic and
                                  non-stochastic bilinear indices and
                                  their QSPR applications  . . . . . . . . 650--673
               Guoping Pang and   
               Yanlai Liang and   
                   Fengyan Wang   Bifurcation and chaos of Tessiet type
                                  food chain chemostat with periodically
                                  varying substrate  . . . . . . . . . . . 674--690
               Fengyan Wang and   
                   Guoping Pang   Competition in a chemostat with
                                  Beddington--DeAngelis growth rates and
                                  periodic pulsed nutrient . . . . . . . . 691--710
                 Jerry Ray Dias   Isomer enumeration of practical
                                  benzenoids . . . . . . . . . . . . . . . 711--724
          Damir Vukicevi\'c and   
           Alexandru T. Balaban   Note on ordering and complexity of
                                  Platonic and Archimedean polyhedra based
                                  on solid angles  . . . . . . . . . . . . 725--730
            Alemdar Hasanov and   
                Safak Hasanoglu   Comparative analysis of linear and
                                  nonlinear models for ion transport
                                  problem in chronoamperometry . . . . . . 731--742
               C. Rajamohan and   
 A. Merwyn Jasper D. Reuben and   
            P. Nithiananthi and   
                   K. Jayakumar   Shape effect of diamagnetic
                                  susceptibility of a hydrogenic donor in
                                  a nano structured semiconductor systems  743--748
             I. I. Guseinov and   
                  B. A. Mamedov   Evaluation of the auxiliary function $
                                  {G_{-ns}^q} $ using basic overlap
                                  integrals over Slater type orbitals  . . 749--754
       Yovani Marrero-Ponce and   
Juan Alberto Castillo-Garit and   
          Eduardo A. Castro and   
          Francisco Torrens and   
                Richard Rotondo   $3$D-chiral (2.5) atom-based
                                  TOMOCOMD--CARDD descriptors: theory and
                                  QSAR applications to central chirality
                                  codification . . . . . . . . . . . . . . 755--786
            Joseph Q. W. Lo and   
              Bernie D. Shizgal   Pseudospectral methods of solution of
                                  the Schrödinger equation  . . . . . . . . 787--801
            Roman F. Nalewajski   Internal and external eigenvalue
                                  problems of Hermitian operators and
                                  their use in electronic structure theory 802--815
             V. V. Gubernov and   
                H. S. Sidhu and   
               G. N. Mercer and   
              A. V. Kolobov and   
                A. A. Polezhaev   The effect of Lewis number variation on
                                  combustion waves in a model with
                                  chain-branching reaction . . . . . . . . 816--830
                   Keang Fu and   
                  Xiaorong Yang   Asymptotics of kernel error density
                                  estimators in nonlinear autoregressive
                                  models . . . . . . . . . . . . . . . . . 831--838
                 I. I. Guseinov   Unified treatment of complete
                                  orthonormal sets of nonrelativistic,
                                  quasirelativistic and relativistic sets
                                  of spinor wave functions, and Slater
                                  spinor orbitals in coordinate, momentum
                                  and four-dimensional spaces  . . . . . . 839--848
          G. Rahamathunissa and   
                   L. Rajendran   Application of He's variational
                                  iteration method in nonlinear boundary
                                  value problems in enzyme--substrate
                                  reaction diffusion processes: part 1.
                                  The steady-state amperometric response   849--861
                      Lemin Zhu   Limit cycles of a three-dimensional
                                  bio-reactor with inhibition responses    862--871
           Jacques Gabarro-Arpa   A central partition of molecular
                                  conformational space. IV. Extracting
                                  information from the graph of cells  . . 872--883
            Dzevad Belki\'c and   
                 Karen Belki\'c   Unequivocal disentangling genuine from
                                  spurious information in time signals:
                                  clinical relevance in cancer diagnostics
                                  through magnetic resonance spectroscopy  884--912
               Sasan Karimi and   
            Anthony Delgado and   
                 Marty Lewinter   Resonance structure counts in
                                  parallelogram-like benzenoids with holes 913--916

Journal of Mathematical Chemistry
Volume 44, Number 4, November, 2008

                  Paul G. Mezey   Editorial  . . . . . . . . . . . . . . . 917--917
              Christian Brouder   A differential identity for Green
                                  functions  . . . . . . . . . . . . . . . 918--937
   Patrick Cassam-Chena\"\i and   
  Frédéric Patras   Symmetry-adapted polynomial basis for
                                  global potential energy
                                  surfaces-applications to XY$_4$
                                  molecules  . . . . . . . . . . . . . . . 938--966
                  Mathieu Lewin   On the computation of excited states
                                  with MCSCF methods . . . . . . . . . . . 967--980
   Patrick Cassam-Chena\"\i and   
      Jean-Marc Chiaramello and   
                  Paul G. Mezey   Generalisation of a property of
                                  Hamiltonians depending linearly upon a
                                  parameter: application to a model of
                                  inert gas matrix effect on vibrational
                                  spectra  . . . . . . . . . . . . . . . . 981--987
             Brian T. Sutcliffe   What mathematicians know about the
                                  solutions of Schrödinger Coulomb
                                  Hamiltonian. Should chemists care? . . . 988--1008
        B. I. Zhilinskií   Rearrangement of energy bands:
                                  topological aspects  . . . . . . . . . . 1009--1022
                  Paul G. Mezey   Charge-conserving electron density
                                  averaging for a set of nuclear
                                  configurations . . . . . . . . . . . . . 1023--1032


Journal of Mathematical Chemistry
Volume 45, Number 1, January, 2009

                  Paul G. Mezey   Some dimension problems in molecular
                                  databases  . . . . . . . . . . . . . . . 1--6
       E. J. Janse van Rensburg   Thoughts on lattice knot statistics  . . 7--38
                    R. Brak and   
             A. L. Owczarek and   
                  A. Rechnitzer   Exact solutions of lattice polymer
                                  models . . . . . . . . . . . . . . . . . 39--57
               R. K. P. Zia and   
                    Yong Wu and   
                 B. Schmittmann   Percolation of a collection of finite
                                  random walks: a model for gas permeation
                                  through thin polymeric membranes . . . . 58--64
                      G. N. Ord   Counting oriented rectangles and the
                                  propagation of waves . . . . . . . . . . 65--71
               E. Orlandini and   
                     M. C. Tesi   Modelling the adsorption of a polymer
                                  subject to an elongational force by
                                  directed walk models . . . . . . . . . . 72--94
                 Gian-Luca Oppo   Formation and control of Turing patterns
                                  and phase fronts in photonics and
                                  chemistry  . . . . . . . . . . . . . . . 95--112
             A. L. Owczarek and   
                    R. Brak and   
                  A. Rechnitzer   Self-avoiding walks in slits and slabs
                                  with interactive walls . . . . . . . . . 113--128
            Valentino A. Simpao   Toward chemical applications of
                                  Heaviside Operational Ansatz: exact
                                  solution of radial Schrödinger equation
                                  for nonrelativistic $N$-particle system
                                  with pairwise $ {\frac {1}{r_{ij}}}$
                                  radial potential in quantum phase space  129--140
                   Katrin Rohlf   Stochastic phase-space description for
                                  reactions that change particle numbers   141--160
Uriel Octavio Moreles Vázquez and   
             Wataru Shinoda and   
           Preston B. Moore and   
             Chi-cheng Chiu and   
              Steven O. Nielsen   Calculating the surface tension between
                                  a flat solid and a liquid: a theoretical
                                  and computer simulation study of three
                                  topologically different methods  . . . . 161--174
                    K. Shiokawa   Non-Markovian dynamics and entanglement
                                  in quantum Brownian motion . . . . . . . 175--187
        Maddalena Venturoli and   
        Eric Vanden-Eijnden and   
              Giovanni Ciccotti   Kinetics of phase transitions in two
                                  dimensional Ising models studied with
                                  the string method  . . . . . . . . . . . 188--222
        Anthony J. Guttmann and   
         Jesper L. Jacobsen and   
                Iwan Jensen and   
                   Sanjay Kumar   Modeling force-induced bio-polymer
                                  unfolding  . . . . . . . . . . . . . . . 223--237
                 J. Alvarez and   
                  C. E. Soteros   Higher order Morita approximations for
                                  random copolymer localization  . . . . . 238--256
            Valentino A. Simpao   Toward chemical applications of
                                  Heaviside Operational Ansatz: exact
                                  solution of radial Schrödinger equation
                                  for nonrelativistic N-particle system
                                  with pairwise $ {\frac {1}{r_{ij}}} $
                                  radial potential in quantum phase space  257--257

Journal of Mathematical Chemistry
Volume 45, Number 2, February, 2009

              Csaba L. Nagy and   
               Mircea V. Diudea   Preface  . . . . . . . . . . . . . . . . 259--262
           Gunnar Brinkmann and   
             Jack E. Graver and   
                 Claudia Justus   Numbers of faces in disordered patches   263--278
                  S. Cigher and   
             D. Vukicevi\'c and   
                   M. V. Diudea   On Kekulé structures count  . . . . . . . 279--286
             Adina Costescu and   
       Cristina D. Moldovan and   
             Gabriel Katona and   
               Mircea V. Diudea   QSAR modeling of human catechol
                                  $O$-methyltransferase enzyme kinetics    287--294
               Mircea V. Diudea   Cluj polynomials . . . . . . . . . . . . 295--308
               Mircea V. Diudea   Omega polynomial in twisted/chiral
                                  polyhex tori . . . . . . . . . . . . . . 309--315
               M. V. Diudea and   
                  S. Cigher and   
              A. E. Vizitiu and   
             M. S. Florescu and   
                     P. E. John   Omega polynomial and its use in
                                  nanostructure description  . . . . . . . 316--329
           Mircea V. Diudea and   
              Aniela E. Vizitiu   Aromaticity of corazulenic fullerenes    330--353
               Mircea V. Diudea   Retro-Leapfrog and structure elucidation 354--363
      Lorentz Jäntschi and   
               Mircea V. Diudea   Subgraphs of pair vertices . . . . . . . 364--371
            Klavdija Kutnar and   
             Urban Borstnik and   
             Dragan Marusic and   
                Dusanka Janezic   Interconnection networks for parallel
                                  molecular dynamics simulation based on
                                  Hamiltonian cubic symmetric topology . . 372--385
               Erwin Lijnen and   
               Arnout Ceulemans   Optimized algorithm to find all
                                  symmetry-distinct maps of a graph:
                                  application to topology-driven molecular
                                  design . . . . . . . . . . . . . . . . . 386--405
            Klavdija Kutnar and   
             Dragan Marusic and   
              Damir Vukicevi\'c   On decompositions of leapfrog fullerenes 406--416
                  E. Lijnen and   
               A. Ceulemans and   
               M. V. Diudea and   
                    Cs. L. Nagy   Double toroids as model systems for
                                  carbon nanotube junctions: through-bond
                                  currents . . . . . . . . . . . . . . . . 417--430
            Klavdija Kutnar and   
              Jelena Sedlar and   
              Damir Vukicevi\'c   On the anti-Kekulé number of leapfrog
                                  fullerenes . . . . . . . . . . . . . . . 431--441
       Cristina D. Moldovan and   
             Adina Costescu and   
             Gabriel Katona and   
               Mircea V. Diudea   Application to QSAR studies of
                                  $2$-furylethylene derivatives  . . . . . 442--451
              Csaba L. Nagy and   
               Katalin Nagy and   
               Mircea V. Diudea   Elongated tori from armchair DWNT  . . . 452--459
               Kyoko Nakada and   
                Kenji Maeda and   
                   Kota Daigoku   Topology and electronic structure of
                                  nanotube junctions of tetrapod shape . . 460--470
            Adriaan Peeters and   
              Kris Coolsaet and   
           Gunnar Brinkmann and   
       Nicolas Van Cleemput and   
                    Veerle Fack   GrInvIn in a nutshell  . . . . . . . . . 471--477
               Marius Socol and   
              Ioan Bâldea   New method of finding the analytical
                                  solutions directly on the base on the
                                  reaction mechanism . . . . . . . . . . . 478--487
                 Shoujun Xu and   
                   Heping Zhang   Hosoya polynomials of TUC$_4$C$_8$(S)
                                  nanotubes  . . . . . . . . . . . . . . . 488--502
               Roman Trobec and   
             Urban Borstnik and   
                Dusanka Janezic   Communication performance of $d$-meshes
                                  in molecular dynamics simulation . . . . 503--512
              A. E. Vizitiu and   
                Cs. L. Nagy and   
                   M. Stefu and   
                  G. Katona and   
               M. V. Diudea and   
                    B. Parv and   
                 D. Vukicevi\'c   Tubercular fulleroids  . . . . . . . . . 513--524
             D. Vukicevi\'c and   
                  S. Cigher and   
                   M. V. Diudea   Analytical formulas for Kekulé structures
                                  number in (6,3)VH $t$ [6, $n$ ] and
                                  (6,3)VH $t$ [8, $n$ ] tori . . . . . . . 525--537
          Damir Vukicevi\'c and   
            Sonja Nikoli\'c and   
             Nenad Trinajsti\'c   On the path-Zagreb matrix  . . . . . . . 538--543
                  Paul G. Mezey   QSAR and the ultimate molecular
                                  descriptor: the shape of electron
                                  density clouds . . . . . . . . . . . . . 544--549
                  Paul G. Mezey   Energy relations between small and large
                                  unit cell boron-nitrogen polymer
                                  analogues of spiral graphite and
                                  nanoneedle structures  . . . . . . . . . 550--556
          Damir Vukicevi\'c and   
                   Ante Graovac   On functionalized fullerenes
                                  C$_{60}$X$_n$  . . . . . . . . . . . . . 557--562

Journal of Mathematical Chemistry
Volume 45, Number 3, March, 2009

            Dzevad Belki\'c and   
                 Karen Belki\'c   The general concept of signal-noise
                                  separation (SNS): mathematical aspects
                                  and implementation in magnetic resonance
                                  spectroscopy . . . . . . . . . . . . . . 563--597
      Ödön Farkas and   
          Imre Jákli and   
Adrián Kalászi and   
              Gábor Imre   Parameter-free linear relationship
                                  (PFLR) and its application to $3$D QSAR  598--606
            Roman F. Nalewajski   On molecular similarity in communication
                                  theory of the chemical bond  . . . . . . 607--626
         Tomislav P. Zivkovi\'c   Exact treatment of open
                                  finite-dimensional quantum systems: I.
                                  Time-independent case  . . . . . . . . . 627--701
             I. I. Guseinov and   
              B. A. Mamedov and   
                   Z. Andic and   
                       S. Cicek   Use of unsymmetrical one-range addition
                                  theorems of Slater type orbitals in
                                  molecular electronic structure
                                  determination  . . . . . . . . . . . . . 702--708
            Roman F. Nalewajski   Communication-theory perspective on
                                  valence-bond theory  . . . . . . . . . . 709--724
       Alexandru T. Balaban and   
      Kiran B. Chilakamarri and   
               Douglas J. Klein   Protochirons and protohelices  . . . . . 725--747
               Chun-Chi Lin and   
          Hartmut R. Schwetlick   Evolving a Kirchhoff elastic rod without
                                  self-intersections . . . . . . . . . . . 748--768
         Jorge M. V. Capela and   
           Marisa V. Capela and   
       Clóvis A. Ribeiro   Rational approximations of the Arrhenius
                                  integral using Jacobi fractions and
                                  Gaussian quadrature  . . . . . . . . . . 769--775
            Roman F. Nalewajski   Manifestations of Pauli exclusion
                                  principle in communication-theory of the
                                  chemical bond  . . . . . . . . . . . . . 776--789
            Dzevad Belki\'c and   
                 Karen Belki\'c   Exact quantification of time signals
                                  from magnetic resonance spectroscopy by
                                  the fast Padé transform with applications
                                  to breast cancer diagnostics . . . . . . 790--818
            Dzevad Belki\'c and   
                 Karen Belki\'c   Unequivocal resolution of multiplets in
                                  MR spectra for prostate cancer
                                  diagnostics achieved by the fast Padé
                                  transform  . . . . . . . . . . . . . . . 819--858
         Boris N. Plakhutin and   
             Ernest R. Davidson   Comment on ``Combined open shell
                                  Hartree--Fock theory of atomic-molecular
                                  and nuclear systems'' [J. Math. Chem.
                                  \bf 42 (2007) 177] . . . . . . . . . . . 859--866
              B. A. Mamedov and   
                  H. Koç   Calculation of two-center overlap
                                  integral in molecular coordinate system
                                  over Slater type orbital using Löwdin $
                                  \alpha $-radial and Guseinov
                                  rotation-angular functions [vol 44, pg
                                  365, 2008] . . . . . . . . . . . . . . . 867--867

Journal of Mathematical Chemistry
Volume 45, Number 4, April, 2009

     Athanasios Batagiannis and   
           Thomas Wüst and   
             Jürg Hulliger   Universality behaviour for polarity
                                  formation in channel-type inclusion
                                  compounds  . . . . . . . . . . . . . . . 869--881
     Athanasios Batagiannis and   
           Thomas Wüst and   
             Jürg Hulliger   Universality behaviour for polarity
                                  formation in channel-type inclusion
                                  compounds  . . . . . . . . . . . . . . . 882--883
                  F. G. Pashaev   Use of Filter--Steinborn $B$ and
                                  Guseinov $ {Q_{ns}^q}$ auxiliary
                                  functions in evaluation of two-center
                                  overlap integrals over Slater type
                                  orbitals . . . . . . . . . . . . . . . . 884--890
                  F. G. Pashaev   Use of Filter--Steinborn $B$ and
                                  Guseinov $ {Q_{ns}^q }$ auxiliary
                                  functions in evaluation of two-center
                                  overlap integrals over Slater type
                                  orbitals . . . . . . . . . . . . . . . . 891--891
                D. J. Klein and   
                  A. Ryhzov and   
                   V. Rosenfeld   Permutational isomers on a molecular
                                  skeleton with neighbor-excluding ligands 892--909
                D. J. Klein and   
                  A. Ryzhov and   
                   V. Rosenfeld   Permutational isomers on a molecular
                                  skeleton with neighbor-excluding ligands 910--910
      Jorge Martínez and   
    Alejandro Toro-Labbé   The reaction force. A scalar property to
                                  characterize reaction mechanisms . . . . 911--927
      Jorge Martínez and   
    Alejandro Toro-Labbé   Erratum: The reaction force. A scalar
                                  property to characterize reaction
                                  mechanisms . . . . . . . . . . . . . . . 928--929
              George Livadiotis   Approach on Tsallis statistical
                                  interpretation of hydrogen-atom by
                                  adopting the generalized radial
                                  distribution function  . . . . . . . . . 930--939
              George Livadiotis   Approach on Tsallis statistical
                                  interpretation of hydrogen-atom by
                                  adopting the generalized radial
                                  distribution function  . . . . . . . . . 940--940
              Kramer Alpar-Vajk   A bound for the reversal distance of
                                  genome rearrangements  . . . . . . . . . 941--945
                 I. I. Guseinov   Theory of complete orthonormal
                                  relativistic vector wave function sets
                                  and Slater type relativistic vector
                                  orbitals in coordinate, momentum and
                                  four-dimensional spaces  . . . . . . . . 946--952
                 Teik-Cheng Lim   Coefficient interrelatedness among
                                  polynomial potential functions of
                                  diatomic molecules . . . . . . . . . . . 953--961
                Xueliang Li and   
               Xiangmei Yao and   
              Jianbin Zhang and   
                    Ivan Gutman   Maximum energy trees with two maximum
                                  degree vertices  . . . . . . . . . . . . 962--973
                 I. I. Guseinov   Use of auxiliary functions $ {Q_{ns}^q}
                                  $ and $ {G_{-ns}^q} $ in evaluation of
                                  multicenter integrals over integer and
                                  noninteger $n$-Slater type orbitals
                                  arising in Hartree--Fock--Roothaan
                                  equations for molecules  . . . . . . . . 974--980
               Bijoy K. Dey and   
                  Paul W. Ayers   Computing the chemical reaction path
                                  with a ray-based fast marching technique
                                  for solving the Hamilton--Jacobi
                                  equation in a general coordinate system  981--1003
           E. A. Smolenskii and   
            E. V. Shuvalova and   
              L. K. Maslova and   
             I. V. Chuvaeva and   
               M. S. Molchanova   Reduced matrix of topological distances
                                  with a minimum number of independent
                                  parameters: distance vectors and
                                  molecular codes  . . . . . . . . . . . . 1004--1020
        Daniel Král' and   
      Ondrej Pangrác and   
Jean-Sébastien Sereni and   
               Riste Skrekovski   Long cycles in fullerene graphs  . . . . 1021--1031
                 I. I. Guseinov   Unified treatment of nonrelativistic and
                                  quasirelativistic atomic integrals over
                                  complete orthonormal sets of $
                                  {\Psi^{\alpha }}$-exponential type
                                  orbitals . . . . . . . . . . . . . . . . 1032--1040
            Roman F. Nalewajski   Entropic descriptors of the chemical
                                  bond in H$_2$: local resolution of
                                  Stockholder atoms  . . . . . . . . . . . 1041--1054
          Natalia Inostroza and   
           Ricardo Letelier and   
      María Luisa Senent   On the variational solution of the
                                  coupled breathing rotation-vibration of
                                  a spherical top molecule . . . . . . . . 1055--1059
         Tomislav P. Zivkovi\'c   Vibrational isotope effect by the low
                                  rank perturbation method . . . . . . . . 1060--1101
            Z. A. Anastassi and   
                    T. E. Simos   A family of two-stage two-step methods
                                  for the numerical integration of the
                                  Schrödinger equation and related IVPs
                                  with oscillating solution  . . . . . . . 1102--1129
              Tomislav Dosli\'c   Finding more perfect matchings in
                                  leapfrog fullerenes  . . . . . . . . . . 1130--1136
          Sameer M. Ikhdair and   
                  Ramazan Sever   Exact quantization rule to the
                                  Kratzer-type potentials: an application
                                  to the diatomic molecules  . . . . . . . 1137--1152
           Selda Özcan and   
              Emin Öztekin   Analytical evaluation for two-center
                                  nuclear attraction integrals over Slater
                                  type orbitals by using Fourier transform
                                  method . . . . . . . . . . . . . . . . . 1153--1165
                 I. I. Guseinov   Comment on ``Analytical evaluation for
                                  two-center nuclear attraction integrals
                                  over Slater type orbitals by using
                                  Fourier transform method'' by S. Özcan
                                  and E. Öztekin (J. Math. Chem. DOI
                                  10.1007/s10910-008-9398-z) . . . . . . . 1166--1169
             Saralees Nadarajah   Letter to the Editor . . . . . . . . . . 1170--1171
Gábor Szederkényi   Comment on ``Identifiability of chemical
                                  reaction networks'' by G. Craciun and C.
                                  Pantea . . . . . . . . . . . . . . . . . 1172--1174


Journal of Mathematical Chemistry
Volume 46, Number 1, June, 2009

János G. Ángyán   Wigner's $ (2 n + 1) $ rule for
                                  nonlinear Schrödinger equations . . . . . 1--14
              Lionello Pogliani   Graphs and thermodynamics  . . . . . . . 15--23
 María Belén Ruiz   Evaluation of Hylleraas--CI atomic
                                  integrals by integration over the
                                  coordinates of one electron. I.
                                  Three-electron integrals . . . . . . . . 24--64
               Xi-Ying Yuan and   
                Jia-Yu Shao and   
                 Chang-Xiang He   On the Laplacian spectral radii of trees
                                  with perfect matchings . . . . . . . . . 65--85
                  Paul W. Ayers   A perspective on the link between the
                                  exchange(-correlation) hole and
                                  dispersion forces  . . . . . . . . . . . 86--96
        Zbigniew Romanowski and   
             Abraham F. Jalbout   Two-center overlap integrals, three
                                  dimensional adaptive integration, and
                                  prolate ellipsoidal coordinates  . . . . 97--107
            Jun-ichi Aihara and   
                Masakazu Makino   Aromaticity and diatropicity of
                                  $p$-polyphenyl-$ \alpha $, $ \omega
                                  $-quinododimethides  . . . . . . . . . . 108--116
         Michael J. Bucknum and   
              Eduardo A. Castro   Chemical topology of crystalline matter
                                  and the transcendental numbers $ \varphi
                                  $, $e$, and $ \pi $  . . . . . . . . . . 117--138
          Cüneyt Berkdemir   A novel angle-dependent potential and
                                  its exact solution . . . . . . . . . . . 139--154
 Jesús Suárez and   
            Enrique Gancedo and   
José Manuel Álvarez and   
           Antonio Morán   Truncating and chamfering diagrams of
                                  regular polyhedra  . . . . . . . . . . . 155--163
                James Avery and   
                     John Avery   Atomic core-ionization energies;
                                  approximately piecewise-linear and
                                  linear relationships . . . . . . . . . . 164--181
                  Ling Kang and   
                 Honglin Li and   
                Xiaoyu Zhao and   
             Hualiang Jiang and   
                   Xicheng Wang   A novel conformation optimization model
                                  and algorithm for structure-based drug
                                  design . . . . . . . . . . . . . . . . . 182--198
             Xuncheng Huang and   
                      Lemin Zhu   Bifurcation in the stable manifold of
                                  the bioreactor with $n$th and $m$th
                                  order polynomial yields  . . . . . . . . 199--213
          Clemens Heuberger and   
              Stephan G. Wagner   Chemical trees minimizing energy and
                                  Hosoya index . . . . . . . . . . . . . . 214--230
          Rados\law Szmytkowski   On the derivative of the associated
                                  Legendre function of the first kind of
                                  integer degree with respect to its order
                                  (with applications to the construction
                                  of the associated Legendre function of
                                  the second kind of integer degree and
                                  order) . . . . . . . . . . . . . . . . . 231--260
         János Pipek and   
                   Szilvia Nagy   The kinetic energy operator in the
                                  subspaces of wavelet analysis  . . . . . 261--282
                    Bo Zhou and   
             Nenad Trinajsti\'c   On resistance-distance and Kirchhoff
                                  index  . . . . . . . . . . . . . . . . . 283--289
                  Banghe Li and   
                      Bo Li and   
                   Yuefeng Shen   A novel approach to measure all rate
                                  constants in the simplest enzyme
                                  kinetics model . . . . . . . . . . . . . 290--301

Journal of Mathematical Chemistry
Volume 46, Number 2, August, 2009

               M. I. Nelson and   
                    H. S. Sidhu   Analysis of a chemostat model with
                                  variable yield coefficient: Tessier
                                  kinetics . . . . . . . . . . . . . . . . 303--321
               Pete Donnell and   
               Murad Banaji and   
                Stephen Baigent   Stability in generic mitochondrial
                                  models . . . . . . . . . . . . . . . . . 322--339
                      J. Li and   
                 W. C. Shiu and   
                 W. H. Chan and   
                       A. Chang   On the spectral radius of graphs with
                                  connectivity at most $k$ . . . . . . . . 340--346
                 Qiuzhi Guo and   
               Hanyuan Deng and   
                    Dandan Chen   Zhang--Zhang polynomials of
                                  cyclo-polyphenacenes . . . . . . . . . . 347--362
                  S. A. Baeurle   Multiscale modeling of polymer materials
                                  using field-theoretic methodologies: a
                                  survey about recent developments . . . . 363--426
        Feliksas Ivanauskas and   
            Aivaras Kareiva and   
                  Bogdan Lapcun   Computational modelling of the YAG
                                  synthesis  . . . . . . . . . . . . . . . 427--442
           Frantisek Kardos and   
        Daniel Král' and   
               Jozef Miskuf and   
   Jean-Sébastien Sereni   Fullerene graphs have exponentially many
                                  perfect matchings  . . . . . . . . . . . 443--447
              Emin Öztekin   Analytical and numerical treatment of
                                  auxiliary function $ {B_{m^\prime } m}^j
                                  \left (\beta \right) $ for finite
                                  rotation matrix elements . . . . . . . . 448--458
              Mehbuba Rehim and   
                   Zhidong Teng   Mathematical analysis on nonautonomous
                                  Droop model for phytoplankton growth in
                                  a chemostat: boundedness, permanence and
                                  extinction . . . . . . . . . . . . . . . 459--483
               M. Menadakis and   
                G. Maroulis and   
               P. G. Koutsoukos   Incorporation of Mg$^{2+}$, Sr$^{2+}$,
                                  Ba$^{2+}$ and Zn$^{2+}$ into aragonite
                                  and comparison with calcite  . . . . . . 484--491
          Cüneyt Berkdemir   Ro-vibrating energy states of a diatomic
                                  molecule in an empirical potential . . . 492--501
               Jianjun Jiao and   
                    Lansun Chen   Dynamical analysis of a chemostat model
                                  with delayed response in growth and
                                  pulse input in polluted environment  . . 502--513
             Kinkar Ch. Das and   
                Ivan Gutman and   
                        Bo Zhou   New upper bounds on Zagreb indices . . . 514--521
                Ivan Gutman and   
              Boris Furtula and   
            Miroslav Petrovi\'c   Terminal Wiener index  . . . . . . . . . 522--531
                N. H. March and   
             G. G. N. Angilella   Electronic states in ordered and
                                  disordered quantum networks: with
                                  applications to graphene and to boron
                                  nanotubes  . . . . . . . . . . . . . . . 532--549
               L. Rajendran and   
                 R. Senthamarai   Traveling-wave solution of non-linear
                                  coupled reaction diffusion equation
                                  arising in mathematical chemistry  . . . 550--561
              Shengli Zhang and   
                  Tianming Wang   Feature analysis of protein structure by
                                  using discrete Fourier transform and
                                  continuous wavelet transform . . . . . . 562--568
                 Teik-Cheng Lim   Approximation of the
                                  Dymond--Rigby--Smith potential function
                                  using the Lennard-Jones form . . . . . . 569--575
                 Dongfang Zhang   Exploration for electronic transitions
                                  and photodissociation mechanism of
                                  hydrogen iodide  . . . . . . . . . . . . 576--585
                Shigeru Arimoto   Normed repeat space and its super
                                  spaces: fundamental notions for the
                                  second generation Fukui project  . . . . 586--591
                   Guang Hu and   
              Xin-Dong Zhai and   
                     Dan Lu and   
                   Wen-Yuan Qiu   The architecture of Platonic polyhedral
                                  links  . . . . . . . . . . . . . . . . . 592--603
           G. A. Panopoulos and   
            Z. A. Anastassi and   
                    T. E. Simos   Two optimized symmetric eight-step
                                  implicit methods for initial-value
                                  problems with oscillating solutions  . . 604--620
            Z. A. Anastassi and   
              D. S. Vlachos and   
                    T. E. Simos   A new methodology for the development of
                                  numerical methods for the numerical
                                  solution of the Schrödinger equation  . . 621--651
            Z. A. Anastassi and   
              D. S. Vlachos and   
                    T. E. Simos   A new methodology for the construction
                                  of numerical methods for the approximate
                                  solution of the Schrödinger equation  . . 652--691
              D. S. Vlachos and   
            Z. A. Anastassi and   
                    T. E. Simos   High order multistep methods with
                                  improved phase-lag characteristics for
                                  the integration of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 692--725

Journal of Mathematical Chemistry
Volume 46, Number 3, October, 2009

                T. E. Simos and   
              A. D. Zdetsis and   
               G. Psihoyios and   
            Zacharias Anastassi   Preface  . . . . . . . . . . . . . . . . 727--728
                 Celia Duce and   
            Alessio Micheli and   
             Roberto Solaro and   
           Antonina Starita and   
      Maria Rosaria Tiné   Recursive neural networks prediction of
                                  glass transition temperature from
                                  monomer structure: an application to
                                  acrylic and methacrylic polymers . . . . 729--755
        Bjòrn Kvamme and   
         Tatyana Kuznetsova and   
                 Daniel Uppstad   Modelling excess surface energy in dry
                                  and wetted calcite systems . . . . . . . 756--762
                 A. Svandal and   
                      B. Kvamme   Modeling the dissociation of carbon
                                  dioxide and methane hydrate using the
                                  phase field theory . . . . . . . . . . . 763--769
                C. A. Dorao and   
                 H. A. Jakobsen   Time-property least-squares spectral
                                  method for population balance equations  770--780
          Hideaki Takahashi and   
              Fumihiro Miki and   
                Hajime Ohno and   
               Ryohei Kishi and   
                Suguru Ohta and   
         Shin-ichi Furukawa and   
               Masayoshi Nakano   Hydration effects on the reaction with
                                  an open-shell transition state: QM/MM-ER
                                  study for the dehydration reaction of
                                  alcohol in hot water . . . . . . . . . . 781--794
                      I. Porras   Tests and applications for atoms of an
                                  optimized semiexplicit density
                                  functional method  . . . . . . . . . . . 795--810
              Trygve Buanes and   
        Bjòrn Kvamme and   
                   Atle Svandal   Two approaches for modelling hydrate
                                  growth . . . . . . . . . . . . . . . . . 811--819
                 V. Rastija and   
               S. Nikoli\'c and   
             M. Medi\'c-Sari\'c   Molecular modeling of wine polyphenols   820--833
                 Esma Meral and   
                 Metin Demiralp   Determination of the external field
                                  amplitude and deviation parameter
                                  through expectation value based quantum
                                  optimal control of multiharmonic
                                  oscillators under linear control agents  834--852
     Manuel Urbano-Cuadrado and   
           Irene Luque Ruiz and   
Miguel Ángel Gómez-Nieto   A new quantitative structure-property
                                  relationship approach using
                                  dissimilarity measurements based on
                                  topological distances of non-isomorphic
                                  subgraphs  . . . . . . . . . . . . . . . 853--865
                   G. Psihoyios   A family of numerical multistep methods
                                  with three distinct schemes: explicit
                                  advanced step-point (EAS) methods and
                                  the EAS1 approach  . . . . . . . . . . . 866--895
              Ch. Tsitouras and   
                 I. Th. Famelis   Symbolic derivation of
                                  Runge--Kutta--Nyström order conditions    896--912
              Igor G. Zenkevich   Approximation of any physicochemical
                                  constants of homologues with the use of
                                  recurrect functions  . . . . . . . . . . 913--933
               C. S. Garoufalis   Optical gap and excitation energies of
                                  small Ge nanocrystals  . . . . . . . . . 934--941
              A. D. Zdetsis and   
           C. S. Garoufalis and   
                 E. N. Koukaras   Mixed silicon-germanium nanocrystals: a
                                  detailed study of Si$_x$Ge$_{47 - x}$:H  942--951
           C. S. Garoufalis and   
                  A. D. Zdetsis   Optical properties of ultra small Si
                                  nanoparticles: potential role of surface
                                  reconstruction and oxygen contamination  952--961
              N. C. Bacalis and   
                  A. D. Zdetsis   Properties of hydrogen terminated
                                  silicon nanocrystals via a transferable
                                  tight-binding Hamiltonian, based on
                                  ab-initio results  . . . . . . . . . . . 962--970
              A. D. Zdetsis and   
             E. N. Koukaras and   
               C. S. Garoufalis   A parallel study of Ni@Si$_{12}$ and
                                  Cu@Si$_{12}$ nanoclusters  . . . . . . . 971--980
                    T. E. Simos   A new Numerov-type method for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 981--1007

Journal of Mathematical Chemistry
Volume 46, Number 4, November, 2009

              D. S. Vlachos and   
            Z. A. Anastassi and   
                    T. E. Simos   High order phase fitted multistep
                                  integrators for the Schrödinger equation
                                  with improved frequency tolerance  . . . 1009--1049
               Haitao Zhang and   
                  Yuan Zhou and   
                 Ping Cheng and   
                Sunhua Deng and   
                 Xuejun Cui and   
                   Hongyan Wang   Multi-objective simultaneous prediction
                                  of waterborne coating properties . . . . 1050--1059
              A. A. Toropov and   
             A. P. Toropova and   
                   E. Benfenati   QSPR modeling of octanol water partition
                                  coefficient of platinum complexes by
                                  InChI-based optimal descriptors  . . . . 1060--1073
               Hongjian Guo and   
                    Lansun Chen   Periodic solution of a turbidostat
                                  system with impulsive state feedback
                                  control  . . . . . . . . . . . . . . . . 1074--1086
               M. Kozlowski and   
                    R. Ralowski   The dielectric response with respect to
                                  the weight distribution of relaxation
                                  times  . . . . . . . . . . . . . . . . . 1087--1102
                  Rok Erman and   
           Frantisek Kardos and   
                   Jozef Miskuf   Long cycles in fullerene graphs  . . . . 1103--1111
               Gunnar Brinkmann   Generating water clusters and other
                                  directed graphs  . . . . . . . . . . . . 1112--1121
      Cüneyt Berkdemir and   
                  Ramazan Sever   Modified $l$-states of diatomic
                                  molecules subject to central potentials
                                  plus an angle-dependent potential  . . . 1122--1136
               Xiaoqi Zheng and   
               Yongchao Dou and   
                       Jun Wang   Phylogenetic inference from binary
                                  sequences reduced by primary DNA
                                  sequences  . . . . . . . . . . . . . . . 1137--1148
               Xiaoqi Zheng and   
                    Chun Li and   
                       Jun Wang   A complexity-based measure and its
                                  application to phylogenetic analysis . . 1149--1157
            Z. A. Anastassi and   
              D. S. Vlachos and   
                    T. E. Simos   A family of Runge--Kutta methods with
                                  zero phase-lag and derivatives for the
                                  numerical solution of the Schrödinger
                                  equation and related problems  . . . . . 1158--1171
                    Bo Zhou and   
             Nenad Trinajsti\'c   On extended connectivity indices . . . . 1172--1180
               Mathias Rech and   
     Athanasios Batagiannis and   
             Jürg Hulliger   Polarity formation by a higher order
                                  interaction Markov-like chain  . . . . . 1181--1187
            Alemdar Hasanov and   
              Burhan Pektas and   
                Safak Hasanoglu   An analysis of nonlinear ion transport
                                  model including diffusion and migration  1188--1202
                   Yi Zhang and   
                Junkang Hao and   
              Changjie Zhou and   
                      Kai Chang   Normalized Lempel--Ziv complexity and
                                  its application in bio-sequence analysis 1203--1212
                 Zhijun Liu and   
                   Jing Hui and   
                     Jianhua Wu   Permanence and partial extinction in an
                                  impulsive delay competitive system with
                                  the effect of toxic substances . . . . . 1213--1231
          Andrey A. Toropov and   
           Alla P. Toropova and   
           Emilio Benfenati and   
         Danuta Leszczynska and   
              Jerzy Leszczynski   Additive InChI-based optimal
                                  descriptors: QSPR modeling of fullerene
                                  C$_{60}$ solubility in organic solvents  1232--1251
                    Bo Zhou and   
             Nenad Trinajsti\'c   On a novel connectivity index  . . . . . 1252--1270
                   Yue Chan and   
         Ngamta Thamwattana and   
               Grant M. Cox and   
                  James M. Hill   Mechanics of nanoscale orbiting systems  1271--1291
           Chang Hyeong Lee and   
                      Roger Lui   A reduction method for multiple time
                                  scale stochastic reaction networks . . . 1292--1321
 María Belén Ruiz   Evaluation of Hylleraas--CI atomic
                                  integrals by integration over the
                                  coordinates of one electron. II.
                                  Four-electron integrals  . . . . . . . . 1322--1355
            Damian Mikulski and   
              Marcin Molski and   
                 Jerzy Konarski   Supersymmetry quantum mechanics and the
                                  asymptotic iteration method  . . . . . . 1356--1368
          Damir Vukicevi\'c and   
                  Boris Furtula   Topological index based on the ratios of
                                  geometrical and arithmetical means of
                                  end-vertex degrees of edges  . . . . . . 1369--1376
             Kinkar Ch. Das and   
                    Bo Zhou and   
                N. Trinajsti\'c   Bounds on Harary index . . . . . . . . . 1377--1393
                Yanbin Tang and   
                    Jianli Wang   Bifurcation analysis on a reactor model
                                  with combination of quadratic and cubic
                                  steps  . . . . . . . . . . . . . . . . . 1394--1408


Journal of Mathematical Chemistry
Volume 47, Number 1, January, 2010

                       Ying Liu   Some results on energy of unicyclic
                                  graphs with $n$ vertices . . . . . . . . 1--10
                Xuezheng Lv and   
                    Yan Yan and   
                   Aimei Yu and   
                 Jingjing Zhang   Ordering trees with given pendent
                                  vertices with respect to
                                  Merrifield--Simmons indices and Hosoya
                                  indices  . . . . . . . . . . . . . . . . 11--20
                 Kinkar Ch. Das   Maximum eigenvalue of the reciprocal
                                  distance matrix  . . . . . . . . . . . . 21--28
                 Dongfang Zhang   Studies on the effects of nonadiabatic
                                  behavior during the course of HBr
                                  photolysis . . . . . . . . . . . . . . . 29--40
       Dorota Bieli\'nska-W\kaz   Four-component spectral representation
                                  of DNA sequences . . . . . . . . . . . . 41--51
          Valentin Vankov Iliev   A mathematical characterization of the
                                  groups of substitution isomerism of the
                                  linear alkanes . . . . . . . . . . . . . 52--61
                 Xianyue Li and   
                   Heping Zhang   Embedding on alphabet overlap digraphs   62--71
             Toufik Mansour and   
                Matthias Schork   Wiener, hyper-Wiener, detour and
                                  hyper-detour indices of bridge and chain
                                  graphs . . . . . . . . . . . . . . . . . 72--98
                 Metin Demiralp   No fluctuation approximation in any
                                  desired precision for univariate
                                  function matrix representations  . . . . 99--110
                 Li Shuping and   
               Pei Yongzhen and   
                Li Changguo and   
                    Gao Shujing   Stability analysis for a single-species
                                  chemostat model with age structure and
                                  contribution of population to resource   111--122
                Xinzhu Meng and   
                Zhenqing Li and   
                  Juan J. Nieto   Dynamic analysis of Michaelis--Menten
                                  chemostat-type competition models with
                                  time delay and pulse in a polluted
                                  environment  . . . . . . . . . . . . . . 123--144
                Shinsaku Fujita   Correlation diagrams of stereoisograms
                                  for characterizing stereoisomers of
                                  cyclobutane derivatives  . . . . . . . . 145--166
               Sasan Karimi and   
            Anthony Delgado and   
                 Marty Lewinter   A combinatorial/geometric analysis of
                                  convex cyclofusene . . . . . . . . . . . 167--173
                   Tarko Laszlo   Monte Carlo method for identification of
                                  outlier molecules in QSAR studies  . . . 174--190
               Mantas Puida and   
        Feliksas Ivanauskas and   
           Valdas Laurinavicius   Mathematical modeling of the action of
                                  biosensor possessing variable parameters 191--200
                    Bo Zhou and   
                  Yong Yang and   
             Nenad Trinajsti\'c   On reciprocal reverse Wiener index . . . 201--209
                    Bo Zhou and   
             Nenad Trinajsti\'c   On general sum-connectivity index  . . . 210--218
               Matthew Hudelson   Vertex topological indices and tree
                                  expressions, generalizations of
                                  continued fractions  . . . . . . . . . . 219--228
                  G. Milani and   
                      F. Milani   Optimal vulcanization of $2$D--$3$D
                                  EPM/EPDM thick elements through
                                  peroxidic mixtures . . . . . . . . . . . 229--267
                    Bo Zhou and   
             Nenad Trinajsti\'c   On reverse degree distance . . . . . . . 268--275
               Zhidong Teng and   
                   Rong Gao and   
              Mehbuba Rehim and   
                       Kai Wang   Global behaviors of Monod type chemostat
                                  model with nutrient recycling and
                                  impulsive input  . . . . . . . . . . . . 276--294
             I. I. Guseinov and   
              B. A. Mamedov and   
                Z. Andiç   Application of combined open shell
                                  Hartree--Fock--Roothaan theory to
                                  molecules using symmetrical one-range
                                  addition theorems of Slater type
                                  orbitals . . . . . . . . . . . . . . . . 295--304
          Aleksandar Ili\'c and   
            Dragan Stevanovi\'c   The Estrada index of chemical trees  . . 305--314
                A. A. Kosti and   
            Z. A. Anastassi and   
                    T. E. Simos   An optimized explicit Runge--Kutta
                                  method with increased phase-lag order
                                  for the numerical solution of the
                                  Schrödinger equation and related problems 315--330
       Ramon Carbó-Dorca   Definition of norm coherent generalized
                                  scalar products and quantum similarity   331--344
              B. A. Mamedov and   
          E. Çopuro\uglu   Calculation of three-center nuclear
                                  attraction integral over Slater type
                                  orbitals in molecular coordinate system
                                  using Löwdin $ \alpha $-radial function
                                  and Guseinov's two-center charge density
                                  expansion formulae . . . . . . . . . . . 345--353
              B. A. Mamedov and   
          E. Çopuro\uglu   Erratum: Calculation of three-center
                                  nuclear attraction integral over Slater
                                  type orbitals in molecular coordinate
                                  system using Löwdin $ \alpha $-radial
                                  function and Guseinov's two-center
                                  charge density expansion formulae  . . . 354--354
          Andrey A. Toropov and   
           Alla P. Toropova and   
           Emilio Benfenati and   
         Danuta Leszczynska and   
              Jerzy Leszczynski   Use of the international chemical
                                  identifier for constructing QSPR-model
                                  of normal boiling points of acyclic
                                  carbonyl substances  . . . . . . . . . . 355--369
 J. Dabulyte-Bagdonaviciene and   
                  F. Ivanauskas   The comparison of two electrochemical
                                  process models involving chemical steps  370--383
                 I. I. Guseinov   Expansion formulae for two-center charge
                                  densities of integer and noninteger $n$
                                  generalized exponential type orbitals
                                  applied to evaluation of multicenter
                                  multielectron integrals  . . . . . . . . 384--390
                 I. I. Guseinov   Combined theory of two- and
                                  four-component complete orthonormal sets
                                  of spinor wave functions and Slater type
                                  spinor orbitals in position, momentum
                                  and four-dimensional spaces  . . . . . . 391--402
          J. William Helton and   
          Vitaly Katsnelson and   
                      Igor Klep   Sign patterns for chemical reaction
                                  networks . . . . . . . . . . . . . . . . 403--429
       Dainius Simelevicius and   
                  Romas Baronas   Computational modelling of amperometric
                                  biosensors in the case of substrate and
                                  product inhibition . . . . . . . . . . . 430--445
                       G. Belov   On linear programming approach for the
                                  calculation of chemical equilibrium in
                                  complex thermodynamic systems  . . . . . 446--456
               Weiling Yang and   
                 Fuji Zhang and   
               Douglas J. Klein   Benzenoid links  . . . . . . . . . . . . 457--476
   Gholamhossein Fath-Tabar and   
              Boris Furtula and   
                    Ivan Gutman   A new geometric-arithmetic index . . . . 477--486
               Laszlo Tarko and   
                  Mihai V. Putz   On electronegativity and chemical
                                  hardness relationships with aromaticity  487--495
                Shouliu Wei and   
                    Xiaoling Ke   Elementary components of essentially
                                  disconnected polyomino graphs  . . . . . 496--504
          Thomas A. Niehaus and   
                N. H. March and   
                       S. Suhai   Correlated and idempotent Dirac
                                  first-order density matrices with
                                  identical diagonal Fermion density: a
                                  route to extract a one-body potential
                                  energy in TDDFT  . . . . . . . . . . . . 505--519
                N. H. March and   
                    Z. D. Zhang   Statistical-mechanical models with
                                  separable many-body interactions:
                                  especially partition functions and
                                  thermodynamic consequences . . . . . . . 520--538
                Hale Yilmaz and   
             Dogan Demirhan and   
Fevzi Büyükkiliç   Solution of the Schrödinger equation for
                                  two $q$-deformed potentials by the SWKB
                                  method . . . . . . . . . . . . . . . . . 539--547
       Ramon Carbó-Dorca   A monodimensional scientific performance
                                  measure: the $h$ index, can be
                                  substituted by simple multidimensional
                                  descriptors? . . . . . . . . . . . . . . 548--550

Journal of Mathematical Chemistry
Volume 47, Number 2, February, 2010

Gábor Szederkényi   Computing sparse and dense realizations
                                  of reaction kinetic systems  . . . . . . 551--568
          Richard K. F. Lee and   
               Barry J. Cox and   
                  James M. Hill   Silicon nanotubes with distinct bond
                                  lengths  . . . . . . . . . . . . . . . . 569--589
            Jean-Joseph Max and   
               Camille Chapados   Infrared transmission equations in a
                                  five media system: gas and liquid  . . . 590--625
            Victor A. Nicholson   Protein folding invariants . . . . . . . 626--635
             A. G. de Sousa and   
          A. B. F. da Silva and   
                  V. S. Bagnato   The effect of the negative coupling
                                  parameter on the spectrum of a trapped
                                  Bose gas . . . . . . . . . . . . . . . . 636--646
              A. A. Toropov and   
             A. P. Toropova and   
               E. Benfenati and   
             D. Leszczynska and   
                 J. Leszczynski   QSAR analysis of
                                  1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines exhibiting anticancer activity by optimal SMILES-based descriptors  647--666
            Roman F. Nalewajski   Use of non-additive information measures
                                  in exploring molecular electronic
                                  structure: Stockholder bonded atoms and
                                  role of kinetic energy in the chemical
                                  bond . . . . . . . . . . . . . . . . . . 667--691
            Roman F. Nalewajski   Many-orbital probabilities and their
                                  entropy/information descriptors in
                                  orbital communication theory of the
                                  chemical bond  . . . . . . . . . . . . . 692--708
            Roman F. Nalewajski   Additive and non-additive information
                                  channels in orbital communication theory
                                  of the chemical bond . . . . . . . . . . 709--738
                Siyuan Wang and   
             Xuncheng Huang and   
                  Lemin Zhu and   
               Minaya Villasana   Hopf bifurcation and multiple limit
                                  cycles in bio-chemical reaction of the
                                  morphogenesis process  . . . . . . . . . 739--749
           Chang Hyeong Lee and   
                      Roger Lui   A reduction method for multiple time
                                  scale stochastic reaction networks with
                                  non-unique equilibrium probability . . . 750--770
           Frantisek Kardos and   
                Matjaz Krnc and   
                Borut Luzar and   
               Riste Skrekovski   Cyclic $7$-edge-cuts in fullerene graphs 771--789
                S. O. Ajadi and   
                        O. Nave   Approximate critical conditions in
                                  thermal explosion theory for a two-step
                                  kinetic model  . . . . . . . . . . . . . 790--807
            Roman F. Nalewajski   Entropy/information coupling between
                                  orbital-communications in molecular
                                  subsystems . . . . . . . . . . . . . . . 808--832
                   Yan Yuan and   
                    Bo Zhou and   
             Nenad Trinajsti\'c   On geometric-arithmetic index  . . . . . 833--841
                  Zhibin Du and   
                    Bo Zhou and   
             Nenad Trinajsti\'c   Minimum sum-connectivity indices of
                                  trees and unicyclic graphs of a given
                                  matching number  . . . . . . . . . . . . 842--855
                Shigeru Arimoto   Proof of the Fukui conjecture via
                                  resolution of singularities and related
                                  methods: III . . . . . . . . . . . . . . 856--870
                  A. Konguetsof   A new two-step hybrid method for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 871--890
               Milan Meloun and   
     Sylva Bordovská and   
                    Karel Kupka   Outliers detection in the statistical
                                  accuracy test of a p$ K_a $ prediction   891--909

Journal of Mathematical Chemistry
Volume 47, Number 3, April, 2010

               J. J. Omiste and   
  R. J. Yáñez and   
                   J. S. Dehesa   Information-theoretic properties of the
                                  half-line Coulomb potential  . . . . . . 911--928
          J. P. Killingbeck and   
                    G. Jolicard   The Niblack--Nigam iterative method
                                  revisited  . . . . . . . . . . . . . . . 929--936
              Wen-Huan Wang and   
                   Li-Ying Kang   Ordering of the trees by minimal
                                  energies . . . . . . . . . . . . . . . . 937--958
              V. I. Yukalov and   
             E. P. Yukalova and   
                     S. Gluzman   Extrapolation and interpolation of
                                  asymptotic series by self-similar
                                  approximants . . . . . . . . . . . . . . 959--983
                 Teik-Cheng Lim   Modification of Morse potential in
                                  conventional force fields for applying
                                  FPDP parameters  . . . . . . . . . . . . 984--989
   Mario N. Berberan-Santos and   
          Evgeny N. Bodunov and   
              Lionello Pogliani   On the barometric formula inside the
                                  Earth  . . . . . . . . . . . . . . . . . 990--1004
            Vesselin Petrov and   
                  Fernando Pina   Analytical resolution of the reaction
                                  rates of flavylium network by Laplace
                                  transform  . . . . . . . . . . . . . . . 1005--1026
        John P. Killingbeck and   
                 Alain Grosjean   A Gauss elimination method for
                                  resonances . . . . . . . . . . . . . . . 1027--1037
                E. Urdiales and   
            Vladimir A. Volpert   Frontal polymerization with encapsulated
                                  monomer  . . . . . . . . . . . . . . . . 1038--1053
                    Huanmin Yao   New algorithm for the numerical solution
                                  of the integro-differential equation
                                  with an integral boundary condition  . . 1054--1067
            Roman F. Nalewajski   $N$-dependence of electronic energies in
                                  atoms and molecules: Mulliken and
                                  exponential interpolations . . . . . . . 1068--1076
               Chern Chuang and   
                    Bih-Yaw Jin   Classification of hypothetical doubly
                                  and triply periodic porous graphitic
                                  structures by tilings of neck-like units 1077--1084
        Gábor Pongor and   
        János E\Hori and   
      János Rohonczy and   
                Zsuzsanna Kolos   Direct inversion in the spectral
                                  subspace: A novel method for
                                  quantitative and qualitative analysis of
                                  chemical mixtures  . . . . . . . . . . . 1085--1105
             Gábor Lente   The connection between the second law of
                                  thermodynamics and the principle of
                                  microscopic reversibility  . . . . . . . 1106--1111
                      Jie Zheng   The general connectivity indices of
                                  catacondensed hexagonal systems  . . . . 1112--1120
Jean-Sébastien Sereni and   
           Matej Stehlík   On the sextet polynomial of fullerenes   1121--1128
                 Yanqiu Liu and   
                    Yusen Zhang   A new method for analyzing H5N1 avian
                                  influenza virus  . . . . . . . . . . . . 1129--1144
           Andrej Vodopivec and   
           Forrest H. Kaatz and   
                    Bohan Mohar   Topographical distance matrices for
                                  porous arrays  . . . . . . . . . . . . . 1145--1153
                        Lili Lu   Optimal inputs and sensitivities for
                                  parameter estimation in bioreactors  . . 1154--1176
           Alexandru T. Balaban   Nonconvex polyhedra by repeated
                                  truncation of semiregular polyhedra  . . 1177--1183
Mário N. Berberan-Santos   Mathematical basis of the integral
                                  formalism of chemical kinetics. Compact
                                  representation of the general solution
                                  of the first-order linear differential
                                  equation . . . . . . . . . . . . . . . . 1184--1188

Journal of Mathematical Chemistry
Volume 47, Number 4, May, 2010

                 Zhong Zhao and   
                    Lansun Chen   Dynamic analysis of lactic acid
                                  fermentation with impulsive input  . . . 1189--1208
                    D. J. Klein   Centrality measure in graphs . . . . . . 1209--1223
                 Zhong Zhao and   
                    Li Yang and   
                    Lansun Chen   Impulsive state feedback control of the
                                  microorganism culture in a turbidostat   1224--1239
                 I. I. Guseinov   Evaluation of intermolecular interaction
                                  energy using one-range addition theorems
                                  for $ \psi^\alpha $-ETO and
                                  Coulomb--Yukawa like correlated
                                  interaction potentials with integer and
                                  noninteger indices . . . . . . . . . . . 1240--1247
            Alemdar Hasanov and   
              Burhan Pektas and   
                 Umit Kadiroglu   An analysis of nonlinear ion transport
                                  problem including arbitrary valences of
                                  oxidized and reduced species . . . . . . 1248--1262
                Tahir Ahmad and   
           Sabariah Baharun and   
           Khairil Anuar Arshad   Modeling a clinical incineration process
                                  using fuzzy autocatalytic set  . . . . . 1263--1273
            Inbal Tuvi-Arad and   
                    David Avnir   Determining symmetry changes during a
                                  chemical reaction: the case of diazene
                                  isomerization  . . . . . . . . . . . . . 1274--1286
               Peter H. Sellers   Torsion in biochemical reaction networks 1287--1302
                    Ivan Gutman   Theory of the PCP effect and related
                                  phenomena  . . . . . . . . . . . . . . . 1303--1312
              M. L. Glasser and   
                N. H. March and   
                    L. M. Nieto   Exchange energy for two closed shells
                                  generated by a bare Coulomb potential
                                  energy $ - Z e^2 / r $ in the limit of
                                  large $Z$, in two dimensions . . . . . . 1313--1322
                Nejla Altay and   
                 Metin Demiralp   Numerical solution of ordinary
                                  differential equations by
                                  Fluctuationlessness theorem  . . . . . . 1323--1343
Ramón-Alain Miranda-Quintana and   
         Roberto Cruz-Rodes and   
 Edelsys Codorniu-Hernandez and   
 Alfo José Batista-Leyva   Formal theory of the comparative
                                  relations: its application to the study
                                  of quantum similarity and dissimilarity
                                  measures and indices . . . . . . . . . . 1344--1365
                Dzevad Belki\'c   Review of theories on ionization in fast
                                  ion--atom collisions with prospects for
                                  applications to hadron therapy . . . . . 1366--1419
                Dzevad Belki\'c   Review of theories on double electron
                                  capture in fast ion--atom collisions . . 1420--1467
                M. L. Strekalov   A treatment of the torsional wave
                                  equation with an internal rotation
                                  constant depending on a torsional angle
                                  via point canonical transformation . . . 1468--1475
         Delia Maria Gligor and   
        Mihaela Ligia Unguresan   Numerical modelling and simulation of
                                  Laviron treatment for poly-phenothiazine
                                  derivative-modified glassy carbon
                                  electrodes . . . . . . . . . . . . . . . 1476--1482
           Andrej Vodopivec and   
           Forrest H. Kaatz and   
                    Bojan Mohar   Erratum to: Topographical distance
                                  matrices for porous arrays . . . . . . . 1483--1483


Journal of Mathematical Chemistry
Volume 48, Number 1, July, 2010

             J. Vigo-Aguiar and   
             E. J. Brändas   Mathematical and computational tools in
                                  theoretical chemistry  . . . . . . . . . 1--2
                  P. Alonso and   
                 J. Delgado and   
                 R. Gallego and   
              J. M. Peña   Neville elimination: an efficient
                                  algorithm with application to chemistry  3--20
M. Ángeles Pérez-García   Shape analysis of clusterized neutron
                                  rich matter  . . . . . . . . . . . . . . 21--27
            L. Bayón and   
                 J. M. Grau and   
                 M. M. Ruiz and   
            P. M. Suárez   Initial guess of the solution of dynamic
                                  optimization of chemical processes . . . 28--37
              Higinio Ramos and   
             J. Vigo-Aguiar and   
                 S. Natesan and   
     R. García-Rubio and   
                 M. A. Queiruga   Numerical solution of nonlinear
                                  singularly perturbed problems on
                                  nonuniform meshes by using a
                                  non-standard algorithm . . . . . . . . . 38--54
                       M. Rizea   Exponential fitting method for the
                                  time-dependent Schrödinger equation . . . 55--65
Juan Luis García Guirao and   
                  Marek Lampart   Positive entropy of a coupled lattice
                                  system related with
                                  Belusov--Zhabotinskii reaction . . . . . 66--71
                     G. Ala and   
              E. Francomano and   
               A. Spagnuolo and   
                   A. Tortorici   A meshless approach for electromagnetic
                                  simulation of metallic carbon nanotubes  72--77
       Luca M. Ghiringhelli and   
           Luigi Delle Site and   
           Ricardo A. Mosna and   
                 I. P. Hamilton   Information-theoretic approach to
                                  kinetic-energy functionals: the nearly
                                  uniform electron gas . . . . . . . . . . 78--82
           F. den Hollander and   
      N. Pétrélis   A mathematical model for a copolymer in
                                  an emulsion  . . . . . . . . . . . . . . 83--94
               Pedro Alonso and   
            Ian P. Hamilton and   
                 J. Vigo-Aguiar   Mathematical and computational methods
                                  with applications in chemistry and
                                  physics  . . . . . . . . . . . . . . . . 95--97
              Higinio Ramos and   
         R. García-Rubio   Numerical solution of nonlinear
                                  singularly perturbed problems by using a
                                  non-standard algorithm on variable
                                  stepsize implementation (CMMSE-2009) . . 98--108
Guadalupe López Laurrabaquio and   
    M. Begoña Torres and   
   Eva. M. Fernández and   
        L. Carlos Balbás   Trends in the formation of aggregates
                                  and crystals from M@Si$_{16}$ clusters:
                                  a study from first principle
                                  calculations . . . . . . . . . . . . . . 109--117
      Ramón Escobedo and   
       Luis A. Fernández   Optimal control of chemical birth and
                                  growth processes in a deterministic
                                  model  . . . . . . . . . . . . . . . . . 118--127
                G. Di Blasi and   
              E. Francomano and   
               A. Tortorici and   
                     E. Toscano   Exploiting numerical behaviors in SPH    128--136
             Violeta Yeguas and   
Gloria Inés Cárdenas-Jirón and   
María Isabel Menéndez and   
      Ramón López   A computational study on the
                                  stability-aromaticity correlation of
                                  triply $N$-confused porphyrins: CMMSE-09 137--144
              Pedro M. Lima and   
                  Luisa Morgado   Numerical modeling of oxygen diffusion
                                  in cells with Michaelis--Menten uptake
                                  kinetics . . . . . . . . . . . . . . . . 145--158
Juan Luis García Guirao and   
                  Marek Lampart   Chaos of a coupled lattice system
                                  related with the Belusov--Zhabotinskii
                                  reaction . . . . . . . . . . . . . . . . 159--164
            M. A. Rey-Ronco and   
   T. Alonso-Sánchez and   
     M. P. Castro-García   Mathematical study to improve the
                                  sensitivity in the neutron activation
                                  analysis of fluorspar  . . . . . . . . . 165--174

Journal of Mathematical Chemistry
Volume 48, Number 2, August, 2010

Mário N. Berberan-Santos   Green's function method and the
                                  first-order linear differential equation 175--178
                   A. Meena and   
                  A. Eswari and   
                   L. Rajendran   Mathematical modelling of enzyme
                                  kinetics reaction mechanisms and
                                  analytical solutions of non-linear
                                  reaction equations . . . . . . . . . . . 179--186
             Xuezhuang Zhao and   
             Zhenfeng Shang and   
                 Zucheng Li and   
                 Xiufang Xu and   
              Guichang Wang and   
                 Ruifang Li and   
                         Yun Li   Approximate symmetry characteristics
                                  using fuzzy-subset theory study for
                                  chiral transitions of
                                  allene-1,3,-dihalides  . . . . . . . . . 187--223
                  A. Konguetsof   Two-step high order hybrid explicit
                                  method for the numerical solution of the
                                  Schrödinger equation  . . . . . . . . . . 224--252
Sevda Üsküplü Altinbasak and   
                 Metin Demiralp   Solutions to linear matrix ordinary
                                  differential equations via minimal,
                                  regular, and excessive space extension
                                  based universalization . . . . . . . . . 253--265
Sevda Üsküplü Altinbasak and   
                 Metin Demiralp   Solutions to linear matrix ordinary
                                  differential equations via minimal,
                                  regular, and excessive space extension
                                  based universalization . . . . . . . . . 266--286
           Thomas G. Kristensen   Transforming Tanimoto queries on real
                                  valued vectors to range queries in
                                  Euclidian space  . . . . . . . . . . . . 287--289
         Nikolaos Kazantzis and   
          Vasiliki Kazantzi and   
      Emmanuel G. Christodoulou   On aspects of the dynamic behavior of
                                  persistent chemicals in a multimedia
                                  environment related to exposure-based
                                  hazard assessment  . . . . . . . . . . . 290--304
               Utz-Uwe Haus and   
               Raymond Hemmecke   Decomposition of reaction networks: the
                                  initial phase of the permanganate/oxalic
                                  acid reaction  . . . . . . . . . . . . . 305--312
                 Jerry Ray Dias   Structure/formula informatics of
                                  isomeric sets of
                                  fluoranthenoid/fluorenoid and indacenoid
                                  hydrocarbons . . . . . . . . . . . . . . 313--329
                    Chun Li and   
               Zhengxing Li and   
               Xiaoqi Zheng and   
                    Hong Ma and   
                    Xiaoqing Yu   A generalization of Lempel--Ziv
                                  complexity and its application to the
                                  comparison of protein sequences  . . . . 330--338
              Alberto d'Onofrio   Uniqueness and global attractivity of
                                  glycolytic oscillations suggested by
                                  Selkov's model . . . . . . . . . . . . . 339--346
Jose Luis Muñoz-Muñoz and   
    Francisco Garcia-Molina and   
         Ramón Varon and   
                Jose Tudela and   
Francisco Garcia-Cánovas and   
Jose N. Rodríguez-López   New features of the steady-state rate
                                  related with the initial concentration
                                  of substrate in the diphenolase and
                                  monophenolase activities of tyrosinase   347--362
                 Teik-Cheng Lim   Application of Kihara parameters in
                                  conventional molecular force fields  . . 363--369
              Boris Furtula and   
               Ante Graovac and   
              Damir Vukicevi\'c   Augmented Zagreb index . . . . . . . . . 370--380
            David R. Gibson and   
                  Hari Pulapaka   A fast algorithm and software for
                                  analysis of FT--ICR data . . . . . . . . 381--394
          Damir Vukicevi\'c and   
                Marin Bralo and   
               Ana Klari\'c and   
         Antonija Markovina and   
               Dina Spahija and   
                Ana Tadi\'c and   
                    Ana Zili\'c   One-two descriptor . . . . . . . . . . . 395--400
                   Guang Hu and   
               Wen-Yuan Qiu and   
           Xiao-Sheng Cheng and   
                     Shu-Ya Liu   The complexity of Platonic and
                                  Archimedean polyhedral links . . . . . . 401--412
                Alemdar Hasanov   Identification of unknown diffusion and
                                  convection coefficients in ion transport
                                  problems from flux data: an analytical
                                  approach . . . . . . . . . . . . . . . . 413--423
                 Dongfang Zhang   On the unimolecular elimination of
                                  gas-phase iodine monobromide following
                                  excitation in the visible wavelength
                                  region . . . . . . . . . . . . . . . . . 424--438
                 Shu-Ya Liu and   
           Xiao-Sheng Cheng and   
               Heping Zhang and   
                   Wen-Yuan Qiu   The architecture of polyhedral links and
                                  their HOMFLY polynomials . . . . . . . . 439--456
          B. Barabás and   
             J. Tóth and   
                G. Pályi   Stochastic aspects of asymmetric
                                  autocatalysis and absolute asymmetric
                                  synthesis  . . . . . . . . . . . . . . . 457--489

Journal of Mathematical Chemistry
Volume 48, Number 3, October, 2010

                Alemdar Hasanov   Identification of unknown diffusion
                                  coefficient in pure diffusive linear
                                  model of chronoamperometry. I. The
                                  theory . . . . . . . . . . . . . . . . . 491--507
            Alemdar Hasanov and   
                  Burhan Pektas   Identification of unknown diffusion
                                  coefficient in pure diffusive linear
                                  model of chronoamperometry. II.
                                  Numerical implementation . . . . . . . . 508--520
               R. Natarajan and   
             R. Jayalakshmi and   
                M. Vivekanandan   Numerical characterization of DNA
                                  sequences: connectivity type indices
                                  derived from DNA line graphs . . . . . . 521--529
                  G. Milani and   
                      F. Milani   A new simple numerical model based on
                                  experimental scorch curve data fitting
                                  for the interpretation of sulphur
                                  vulcanization  . . . . . . . . . . . . . 530--557
               M. B. A. Mansour   Traveling wave patterns in nonlinear
                                  reaction-diffusion equations . . . . . . 558--565
          Adrian-Mihail Stadler   Molecular geometry and conformation:
                                  mathematical relations between
                                  intra-molecular distances and
                                  conformation in Fréchet-type dendrimers
                                  and dendrons . . . . . . . . . . . . . . 566--582
                Rundan Xing and   
                    Bo Zhou and   
             Nenad Trinajsti\'c   Sum-connectivity index of molecular
                                  trees  . . . . . . . . . . . . . . . . . 583--591
  P. L. Dammig Quiña and   
               V. E. Pastor and   
              I. M. Irurzun and   
                     E. E. Mola   Configurational degeneracy of a set of
                                  dipoles in a quasi-two-dimensional
                                  system . . . . . . . . . . . . . . . . . 592--600
                 Hassan Safouhi   Integrals of the paramagnetic
                                  contribution in the relativistic
                                  calculation of the shielding tensor  . . 601--616
J. Masiá-Pérez and   
               J. Escribano and   
                  E. Valero and   
                 E. Arribas and   
    M. García-Moreno and   
J. L. Muñoz-Muñoz and   
R. Gómez-Ladrón de Guevara and   
                R. Varón   A general model for non-autocatalytic
                                  zymogen activation in the presence of
                                  two different and mutually exclusive
                                  inhibitors. I. Kinetic analysis  . . . . 617--634
J. Masiá-Pérez and   
               J. Escribano and   
                  E. Valero and   
                 E. Arribas and   
    M. García-Moreno and   
J. L. Muñoz-Muñoz and   
R. Gómez-Ladrón de Guevara and   
                R. Varón   A general model for non-autocatalytic
                                  zymogen activation in the presence of
                                  two different and mutually exclusive
                                  inhibitors. II. Relative weight of
                                  activation and inhibition processes  . . 635--652
                 Wenjie Qin and   
                     Zhijun Liu   Asymptotic behaviors of a delay
                                  difference system of plankton
                                  allelopathy  . . . . . . . . . . . . . . 653--675
              Wai Chee Shiu and   
               Heping Zhang and   
                     Saihua Liu   Maximal resonance of cubic bipartite
                                  polyhedral graphs  . . . . . . . . . . . 676--686
             A. G. de Sousa and   
          A. B. F. da Silva and   
                  V. S. Bagnato   One-dimensional trapped atoms: critical
                                  coupling parameter and critical number
                                  of particles . . . . . . . . . . . . . . 687--696
                  Zhibin Du and   
                    Bo Zhou and   
             Nenad Trinajsti\'c   Minimum general sum-connectivity index
                                  of unicyclic graphs  . . . . . . . . . . 697--703
                   Yi Cheng and   
                 Yanchun Li and   
                    Shi Yan and   
                    Chuan Huang   Deviation of activation energy caused by
                                  neglecting a temperature term in Ozawa
                                  Equation . . . . . . . . . . . . . . . . 704--713
                    Bo Zhou and   
             Nenad Trinajsti\'c   Some properties of the reformulated
                                  Zagreb indices . . . . . . . . . . . . . 714--719
               Haitao Zhang and   
              Zaihang Zheng and   
                 Xuejun Cui and   
               Hongyan Wang and   
                        Mei Han   Multi-scales association modeling of
                                  membrane water resistance indexes  . . . 720--732
               Heping Zhang and   
                    Dong Ye and   
                     Yunrui Liu   A combination of Clar number and Kekulé
                                  count as an indicator of relative
                                  stability of fullerene isomers of
                                  C$_{60}$ . . . . . . . . . . . . . . . . 733--740
            Nikolai A. Tikhonov   Oscillations of the concentration during
                                  sorption of amino acids on ion exchanger
                                  grains . . . . . . . . . . . . . . . . . 741--751
               R. F. Nalewajski   Electronic-geometric coupling in model
                                  reactive system  . . . . . . . . . . . . 752--775
            Shigeru Arimoto and   
           Mark Spivakovsky and   
            Keith F. Taylor and   
                  Paul G. Mezey   Proof of the Fukui conjecture via
                                  resolution of singularities and related
                                  methods. IV  . . . . . . . . . . . . . . 776--790
                 Goong Chen and   
              Zhonghai Ding and   
             Chang-Shou Lin and   
          Dudley Herschbach and   
               Marlan O. Scully   Variational justification of the
                                  dimensional-scaling method in chemical
                                  physics: the H-atom  . . . . . . . . . . 791--811
                 I. I. Guseinov   Expansion formulae for two-center charge
                                  densities of integer and noninteger $n$
                                  generalized exponential type orbitals
                                  with hyperbolic cosine and their use in
                                  evaluation of multicenter multielectron
                                  integrals  . . . . . . . . . . . . . . . 812--815
         Michael J. Bucknum and   
                    Bin Wen and   
              Eduardo A. Castro   Trigohexagonite  . . . . . . . . . . . . 816--826
                Burcu Tunga and   
                 Metin Demiralp   The influence of the support functions
                                  on the quality of enhanced multivariance
                                  product representation . . . . . . . . . 827--840

Journal of Mathematical Chemistry
Volume 48, Number 4, November, 2010

                     A. K. Dutt   Turing pattern amplitude equation for a
                                  model glycolytic reaction-diffusion
                                  system . . . . . . . . . . . . . . . . . 841--855
                   Alfred Huber   A new time dependent approach for
                                  solving electrochemical interfaces. Part
                                  I: theoretical considerations using Lie
                                  group analysis . . . . . . . . . . . . . 856--875
             Min-Cang Zhang and   
                      Bo An and   
              Huang-Fu Guo-Qing   Exact solutions of a new Coulomb
                                  ring-shaped potential  . . . . . . . . . 876--882
                 S. Gluzman and   
                  V. I. Yukalov   Self-similar extrapolation from weak to
                                  strong coupling  . . . . . . . . . . . . 883--913
   Ramon Carbó-Dorca and   
            Emili Besalú   A Gaussian holographic theorem and the
                                  projection of electronic density
                                  functions into the surface of a sphere   914--924
           Ibraheem Alolyan and   
                    T. E. Simos   High algebraic order methods with
                                  vanished phase-lag and its first
                                  derivative for the numerical solution of
                                  the Schrödinger equation  . . . . . . . . 925--958
           Alla P. Toropova and   
          Andrey A. Toropov and   
           Emilio Benfenati and   
         Danuta Leszczynska and   
              Jerzy Leszczynski   QSAR modeling of measured binding
                                  affinity for fullerene-based HIV-1 PR
                                  inhibitors by CORAL  . . . . . . . . . . 959--987
            Toshikatsu Koga and   
                Masahiro Sekiya   Electron-pair radial density functions   988--1000
          Víctor Delgado   The Sherman equations as a nonlinear
                                  Perron eigenvalue problem  . . . . . . . 1001--1009
                 Genyuan Li and   
                Herschel Rabitz   D-MORPH regression: application to
                                  modeling with unknown parameters more
                                  than observation data  . . . . . . . . . 1010--1035
          J. P. Killingbeck and   
                    A. Lakhlifi   A perturbation approach to finite
                                  difference methods . . . . . . . . . . . 1036--1043
               G. Hariharan and   
                      K. Kannan   Haar wavelet method for solving some
                                  nonlinear Parabolic equations  . . . . . 1044--1061
       Miodrag Mateljevi\'c and   
             Vladimir Bozin and   
                    Ivan Gutman   Energy of a polynomial and the Coulson
                                  integral formula . . . . . . . . . . . . 1062--1068
               Piyali Ghosh and   
               Bholanath Mandal   Characteristic polynomials of alternant
                                  edge weighted linear chains with
                                  subsequent application to some linear
                                  poly ($p$-phenylene) graphs  . . . . . . 1069--1091
           Ibraheem Alolyan and   
                    T. E. Simos   Mulitstep methods with vanished
                                  phase-lag and its first and second
                                  derivatives for the numerical
                                  integration of the Schrödinger equation   1092--1143
                   Guang Hu and   
               Wen-Yuan Qiu and   
           Xiao-Sheng Cheng and   
                     Shu-Ya Liu   Erratum to: The complexity of Platonic
                                  and Archimedean polyhedral links . . . . 1144--1144


Journal of Mathematical Chemistry
Volume 49, Number 1, January, 2011

                   Stefan Varga   On robust density fitting in molecules
                                  and extended systems . . . . . . . . . . 1--5
              Paul W. Ayers and   
       Ramon Carbó-Dorca   The relationship between the eigenvalues
                                  and eigenvectors of a similarity matrix
                                  and its associated Carbó index matrix . . 6--11
                  Young Lee and   
            Donald J. Kouri and   
               David K. Hoffman   Minimum uncertainty wavelets in
                                  non-relativistic super-symmetric quantum
                                  mechanics  . . . . . . . . . . . . . . . 12--34
         Tomislav P. Zivkovi\'c   Exact treatment of generalized
                                  modifications of finite-dimensional
                                  systems by the LRM approach  . . . . . . 35--78
                  S. Jablan and   
              Lj. Radovi\'c and   
                R. Sazdanovi\'c   Tutte and Jones polynomials of links,
                                  polyominoes and graphical recombination
                                  patterns . . . . . . . . . . . . . . . . 79--94
                Shinsaku Fujita   Theory of organic stereoisomerism in
                                  harmony with molecular symmetry  . . . . 95--162
               M. M. Canedo and   
J. L. González-Hernández   KINMODEL (AGDC): a multipurpose
                                  computational method for kinetic
                                  treatment  . . . . . . . . . . . . . . . 163--184
           Subhash C. Basak and   
                       D. Mills   Quantitative structure-activity
                                  relationship studies of boron-containing
                                  dipeptide proteasome inhibitors using
                                  calculated mathematical descriptors  . . 185--200
              B. A. Mamedov and   
          E. Çopuro\uglu   Use of binomial coefficients in fast and
                                  accurate calculation of Löwdin-alpha
                                  radial functions . . . . . . . . . . . . 201--207
              Juan R. Jeanniton   Quantum transition state theory:
                                  featuring ensemble pre-equilibrium
                                  approximation  . . . . . . . . . . . . . 208--240
                M. L. Strekalov   Building transition probabilities per
                                  collision from transition rates per unit
                                  time for finding the mean observable
                                  quantities in the gas phase  . . . . . . 241--250
          Momchil Velkovsky and   
              Rachel Snider and   
           David E. Cliffel and   
                 John P. Wikswo   Modeling the measurements of cellular
                                  fluxes in microbioreactor devices using
                                  thin enzyme electrodes . . . . . . . . . 251--275
             Anna Mozrzymas and   
  Bozenna Rózycka-Roszak   Prediction of critical micelle
                                  concentration of cationic surfactants
                                  using connectivity indices . . . . . . . 276--289
                 I. I. Guseinov   Evaluation of potential of electric
                                  field produced by molecule using
                                  symmetrical one-range addition theorems
                                  for Coulomb--Yukawa like correlated
                                  interaction potentials of integer and
                                  noninteger indices . . . . . . . . . . . 290--295
         Nicolas Champagnat and   
               Chris Chipot and   
                     Erwan Faou   Reconciling alternate methods for the
                                  determination of charge distributions: a
                                  probabilistic approach to
                                  high-dimensional least-squares
                                  approximations . . . . . . . . . . . . . 296--324

Journal of Mathematical Chemistry
Volume 49, Number 2, February, 2011

               Minjie Zhang and   
                     Shuchao Li   On the zeroth-order general Randi\'c
                                  index  . . . . . . . . . . . . . . . . . 325--327
          Brian Wesley Williams   Alternate solutions for two particular
                                  third order kinetic rate laws  . . . . . 328--334
                N. H. March and   
                A. Krishtal and   
             C. Van Alsenoy and   
                   J. D. Talman   Exchange energy density definitions from
                                  the optimized exchange-force,
                                  exemplified for non-relativistic Ne- and
                                  Ar-like atomic ions in the limit of
                                  large nuclear charge . . . . . . . . . . 335--341
 Veerabahu Shanmugasundaram and   
             Gerald M. Maggiora   Application of Shannon-like diversity
                                  measures to cell-based chemistry spaces  342--355
            Dante M. Lepore and   
               Carl Barratt and   
            Pauline M. Schwartz   Computational models of chemical systems
                                  inspired by Braess' paradox  . . . . . . 356--370
            Roman F. Nalewajski   Through-space and through-bridge
                                  components of chemical bonds . . . . . . 371--392
              N. A. Baykara and   
          Ercan Gürvit and   
                 Metin Demiralp   The fluctuationlessness approach to the
                                  numerical integration of functions with
                                  a single variable by integrating Taylor
                                  expansion with explicit remainder term   393--406
      Aysegül Kursunlu and   
                 Metin Demiralp   A fluctuation removal based univariate
                                  integration over prescribed nodes:
                                  certain important aspects of one node
                                  fluctuation free integration . . . . . . 407--427
      Aysegül Kursunlu and   
                 Metin Demiralp   A fluctuation removal based univariate
                                  integration over prescribed nodes  . . . 428--443
                    Hui Gao and   
                         Yan Fu   Mean residence time of Markov processes
                                  for particle transport in fluidized bed
                                  reactors . . . . . . . . . . . . . . . . 444--456
          G. Rahamathunissa and   
              P. Manisankar and   
               L. Rajendran and   
                   K. Venugopal   Modeling of nonlinear boundary value
                                  problems in enzyme-catalyzed reaction
                                  diffusion processes  . . . . . . . . . . 457--474
          Duangkamon Baowan and   
               Barry J. Cox and   
                  James M. Hill   Modelling the joining of nanocones and
                                  nanotubes  . . . . . . . . . . . . . . . 475--488
                Liu Zhifang and   
                      C. Rongsi   The structure character of essentially
                                  disconnected polyomino graphs  . . . . . 489--506
              Yaoxiong Wang and   
                  Rebing Wu and   
                   Xin Chen and   
                 Yunjian Ge and   
                 Junhui Shi and   
            Herschel Rabitz and   
                    Feng Shuang   Quantum state transformation by optimal
                                  projective measurements  . . . . . . . . 507--519
                 Nuri Ozalp and   
                 Elgiz Bairamov   Uniform convergence and computation of
                                  the generalized exponential integrals    520--530
              Alberto d'Onofrio   Globally attractive oscillations in open
                                  monosubstrate allosteric enzyme
                                  reactions  . . . . . . . . . . . . . . . 531--545
            Roman F. Nalewajski   Chemical bonds from through-bridge
                                  orbital communications in prototype
                                  molecular systems  . . . . . . . . . . . 546--561
         Dariusz Szczepanik and   
                  Janusz Mrozek   Entropic bond descriptors from separated
                                  output-reduced communication channels in
                                  atomic orbital resolution  . . . . . . . 562--575
         Necmettin Yildirim and   
              Jonathan K. Statz   Response analysis in biochemical chain
                                  reactions with negative feedforward and
                                  feedbackward loops . . . . . . . . . . . 576--591
            Roman F. Nalewajski   Use of the bond-projected superposition
                                  principle in determining the conditional
                                  probabilities of orbital events in
                                  molecular fragments  . . . . . . . . . . 592--608
                 Ebru Ergun and   
                 Elgiz Bairamov   On the eigenvalues of a $3$ by $3$
                                  non-Hermitian Hamiltonian  . . . . . . . 609--617

Journal of Mathematical Chemistry
Volume 49, Number 3, March, 2011

       Ramon Carbó-Dorca   Logical Kronecker delta deconstruction
                                  of the absolute value function and the
                                  treatment of absolute deviations . . . . 619--624
                     Leon Cohen   On the generalization of the
                                  Edgeworth/Gram--Charlier series  . . . . 625--628
             N. A. Tikhonov and   
                M. G. Tokmachev   Mathematical modelling of low-frequency
                                  oscillations in solute transport by
                                  diffusion through a membrane . . . . . . 629--642
            Anirban Banerji and   
                   Indira Ghosh   Mathematical criteria to observe
                                  mesoscopic emergence of protein
                                  biochemical properties . . . . . . . . . 643--665
                  J. Chaves and   
              J. M. Barroso and   
               E. Besalú   An iterative perturbation theory with a
                                  Hamiltonian modifier . . . . . . . . . . 666--686
                Nejla Altay and   
                 Metin Demiralp   A high dimensional model representation
                                  based numerical method for solving
                                  ordinary differential equations  . . . . 687--710
           Ibraheem Alolyan and   
                    T. E. Simos   A family of eight-step methods with
                                  vanished phase-lag and its derivatives
                                  for the numerical integration of the
                                  Schrödinger equation  . . . . . . . . . . 711--764
                 Ailin Qian and   
                         Yan Li   Optimal error bound and generalized
                                  Tikhonov regularization for identifying
                                  an unknown source in the heat equation   765--775
              A. M. Bersani and   
                 E. Bersani and   
                   L. Mastroeni   Modeling the action of drugs on cellular
                                  enzymes by means of optimal control
                                  techniques . . . . . . . . . . . . . . . 776--795
                Hua-Jun Luo and   
               Jun-Zhi Wang and   
                        Kun Zou   QSAR study on cytotoxic activity
                                  (against KB cells) of some hederagenin
                                  diglycosides using support vector
                                  regression . . . . . . . . . . . . . . . 796--805
            Roman F. Nalewajski   On interference of orbital
                                  communications in molecular systems  . . 806--815
                Z. D. Zhang and   
                    N. H. March   Are the critical exponents for Anderson
                                  localization due to disorder well
                                  understood?  . . . . . . . . . . . . . . 816--820

Journal of Mathematical Chemistry
Volume 49, Number 4, April, 2011

            P. Cassam-Chena\"\i   Rayleigh--Schrödinger perturbation theory
                                  generalized to eigen-operators in
                                  non-commutative rings  . . . . . . . . . 821--835
      R. Carbó-Dorca and   
               E. Besalú   Mathematical aspects of the LCAO MO
                                  first order density function (4): a
                                  discussion on the connection of Taylor
                                  series expansion of electronic density
                                  (TSED) function with the holographic
                                  electron density theorem (HEDT) and the
                                  Hohenberg--Kohn theorem (HKT)  . . . . . 836--842
   Mathieu Dutour Sikiri\'c and   
              Patrick W. Fowler   Cubic polyhedral Ramanujan graphs with
                                  face size no larger than six . . . . . . 843--858
                James D. Benson   Stability analysis of several non-dilute
                                  multiple solute transport equations  . . 859--869
                F. Calogero and   
                 F. Leyvraz and   
                    M. Sommacal   Novel rate equations describing
                                  isochronous chemical reactions . . . . . 870--879
                Shigeru Arimoto   Fundamental notions for the second
                                  generation Fukui project and a
                                  prototypal problem of the normed repeat
                                  space and its super spaces . . . . . . . 880--893
                Burcu Tunga and   
                 Metin Demiralp   Fluctuation free multivariate
                                  integration based logarithmic HDMR in
                                  multivariate function representation . . 894--909
               Tomoki Imada and   
               Shunsuke Ota and   
          Hiroshi Nagamochi and   
                 Tatsuya Akutsu   Efficient enumeration of stereoisomers
                                  of tree structured molecules using
                                  dynamic programming  . . . . . . . . . . 910--970

Journal of Mathematical Chemistry
Volume 49, Number 5, May, 2011

       S. López-Rosa and   
                 J. Montero and   
   P. Sánchez-Moreno and   
                 J. Venegas and   
                   J. S. Dehesa   Position and momentum
                                  information-theoretic measures of a
                                  $D$-dimensional particle-in-a-box  . . . 971--994
              Romas Baronas and   
               Juozas Kulys and   
         Karolis Petrauskas and   
               Julija Razumiene   Modelling carbon nanotube based
                                  biosensor  . . . . . . . . . . . . . . . 995--1010
                 I. I. Guseinov   Unified treatment of complex and real
                                  rotation-angular functions for
                                  two-center overlap integrals over
                                  arbitrary atomic orbitals  . . . . . . . 1011--1013
                Yelda Aygar and   
                 Elgiz Bairamov   Properties of the two-dimensional
                                  exponential integral functions . . . . . 1014--1025
                  Hao Zheng and   
                     Weimin Han   On some discretization methods for
                                  solving a linear matrix ordinary
                                  differential equation  . . . . . . . . . 1026--1041
          Duangkamon Baowan and   
      Kittisak Chayantrakom and   
          Pairote Satiracoo and   
                   Barry J. Cox   Mathematical modelling for equilibrium
                                  configurations of concentric gold
                                  nanoparticles  . . . . . . . . . . . . . 1042--1053
             V. V. Gubernov and   
              A. V. Kolobov and   
            A. A. Polezhaev and   
                    H. S. Sidhu   Pulsating instabilities in the
                                  Zeldovich--Liñán model . . . . . . . . . . 1054--1070
      Balázs Szalkai and   
          István Szalkai   Counting minimal reactions with specific
                                  conditions in $ {\mathbb {R}^4} $  . . . 1071--1085
                 Teik-Cheng Lim   Application of extended-Rydberg
                                  parameters in general Morse potential
                                  functions  . . . . . . . . . . . . . . . 1086--1091
                 M. Alper Tunga   A Matrix Based Indexing HDMR method for
                                  multivariate data modelling  . . . . . . 1092--1114

Journal of Mathematical Chemistry
Volume 49, Number 6, June, 2011

             Thien Tran-Duc and   
         Ngamta Thamwattana and   
                  James M. Hill   Orientation of a benzene molecule inside
                                  a carbon nanotube  . . . . . . . . . . . 1115--1127
                   Canrong Tian   Turing patterns created by
                                  cross-diffusion for a Holling II and
                                  Leslie--Gower type three species food
                                  chain model  . . . . . . . . . . . . . . 1128--1150
               Mantas Puida and   
       Albertas Malinauskas and   
            Feliksas Ivanauskas   Modeling of electrocatalysis at
                                  conducting polymer modified electrodes:
                                  nonlinear current-concentration profiles 1151--1162
Gábor Szederkényi and   
              Katalin M. Hangos   Finding complex balanced and detailed
                                  balanced realizations of chemical
                                  reaction networks  . . . . . . . . . . . 1163--1179
                 Teik-Cheng Lim   Split series potential energy function   1180--1191
             A. David Baker and   
              Mark D. Baker and   
       Christopher R. H. Hanusa   Corner ion, edge-center ion, and
                                  face-center ion Madelung expressions for
                                  sodium chloride  . . . . . . . . . . . . 1192--1198
                     Yun Li and   
              Shengkai Xing and   
             Xuezhuang Zhao and   
             Zhenfeng Shang and   
               Zunsheng Cai and   
                 Xiufang Xu and   
              Guichang Wang and   
                     Ruifang Li   Fuzzy symmetries of two classes of
                                  linear polyacene molecules . . . . . . . 1199--1216

Journal of Mathematical Chemistry
Volume 49, Number 7, August, 2011

        Tamás Zoboki and   
  Péter R. Surján   A stationary property of the APSG wave
                                  function . . . . . . . . . . . . . . . . 1217--1225
        Roman F. Nalewajski and   
                   Piotr Gurdek   On the implicit bond-dependency origins
                                  of bridge interactions . . . . . . . . . 1226--1237
           Douglas J. Klein and   
          Vladimir R. Rosenfeld   Phased graphs and graph energies . . . . 1238--1244
           Douglas J. Klein and   
          Vladimir R. Rosenfeld   Phased cycles  . . . . . . . . . . . . . 1245--1255
           Douglas J. Klein and   
          Vladimir R. Rosenfeld   Dinormal graphs  . . . . . . . . . . . . 1256--1262
        Matthew D. Johnston and   
                   David Siegel   Linear conjugacy of chemical reaction
                                  networks . . . . . . . . . . . . . . . . 1263--1282
                Z. D. Zhang and   
                    N. H. March   Temperature-time duality exemplified by
                                  Ising magnets and quantum-chemical many
                                  electron theory  . . . . . . . . . . . . 1283--1290
                   Yuli Liu and   
                  Paul W. Ayers   Finding minimum energy reaction paths on
                                  ab initio potential energy surfaces
                                  using the fast marching method . . . . . 1291--1301
           Axel Schulze-Halberg   Two-dimensional Darboux transformations
                                  for non-separable angular equations and
                                  solvable non-central potentials  . . . . 1302--1310
         Guillermo Restrepo and   
               Douglas J. Klein   Predicting densities of nitrocubanes
                                  using partial orders . . . . . . . . . . 1311--1321
                 Gyula Tasi and   
              Dóra Barna   Analytical and numerical computation of
                                  error propagation of model parameters    1322--1329
                  A. Konguetsof   A hybrid method with phase-lag and
                                  derivatives equal to zero for the
                                  numerical integration of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1330--1356
                  G. Milani and   
                      F. Milani   EPDM accelerated sulfur vulcanization: a
                                  kinetic model based on a genetic
                                  algorithm  . . . . . . . . . . . . . . . 1357--1383
       Christopher G. Jesudason   I. Numerical nonlinear analysis:
                                  differential methods and optimization
                                  applied to chemical reaction rate
                                  determination  . . . . . . . . . . . . . 1384--1415
                  Hesam Sharifi   Rational groups and integer-valued
                                  characters of Thompson group Th  . . . . 1416--1423
                   M. L. Senent   Ab initio spectroscopic studies of
                                  non-rigid molecules: an application to
                                  acetic acid  . . . . . . . . . . . . . . 1424--1435
          Rados\law Szmytkowski   On the derivative of the associated
                                  Legendre function of the first kind of
                                  integer order with respect to its degree
                                  (with applications to the construction
                                  of the associated Legendre function of
                                  the second kind of integer degree and
                                  order) . . . . . . . . . . . . . . . . . 1436--1477

Journal of Mathematical Chemistry
Volume 49, Number 8, September, 2011

               Yujuan Huang and   
                  Tianming Wang   Phylogenetic analysis of DNA sequences
                                  with a novel characteristic vector . . . 1479--1492
            Parker Rogerson and   
              Gustavo A. Arteca   Molecular size scaling in families of
                                  protein native folds . . . . . . . . . . 1493--1506
              Fadil Santosa and   
                 Benjamin Weitz   An inverse problem in reaction kinetics  1507--1520
             Darius Baronas and   
        Feliksas Ivanauskas and   
                  Romas Baronas   Mechanisms controlling the sensitivity
                                  of amperometric biosensors in flow
                                  injection analysis systems . . . . . . . 1521--1534
                M. G. Marmorino   Eigenvalue lower bounds with Bazley's
                                  special choice of an
                                  infinite-dimensional subspace  . . . . . 1535--1543
               Guglielmo Monaco   A novel derivation of collision theory
                                  rate constants for a bimolecular
                                  reaction . . . . . . . . . . . . . . . . 1544--1557
           Luz Dary Mercado and   
       Ramon Carbó-Dorca   Quantum similarity and discrete
                                  representation of molecular sets . . . . 1558--1572
     Evelina Gaidamauskaite and   
              Romas Baronas and   
                   Juozas Kulys   Modelling synergistic action of
                                  laccase-based biosensor utilizing
                                  simultaneous substrates conversion . . . 1573--1586
                 Yujun Yang and   
               Heping Zhang and   
               Douglas J. Klein   New Nordhaus--Gaddum-type results for
                                  the Kirchhoff index  . . . . . . . . . . 1587--1598
                    A. I. Panin   Polynomial approximations of electronic
                                  wave functions . . . . . . . . . . . . . 1599--1623
     J. R. Fernández and   
             M. C. Muñiz   Numerical analysis of surfactant
                                  dynamics at air-water interface using
                                  the Henry isotherm . . . . . . . . . . . 1624--1645
               Sanling Yuan and   
                     Pan Li and   
                    Yongli Song   Delay induced oscillations in a
                                  turbidostat with feedback control  . . . 1646--1666
                 E. Arribas and   
             J. M. Villalba and   
           M. Garcia-Moreno and   
                  M. L. Amo and   
          F. Garcia-Sevilla and   
           F. Garcia-Molina and   
J. L. Muñoz-Muñoz and   
                       R. Varon   Characterization of unstable enzyme
                                  systems which evolve according to a
                                  three-exponential equation . . . . . . . 1667--1686
                   Amlan K. Roy   Density functional calculation of
                                  many-electron systems in Cartesian
                                  coordinate grid  . . . . . . . . . . . . 1687--1699
            Shigeru Arimoto and   
           Mark Spivakovsky and   
               Eiji Yoshida and   
            Keith F. Taylor and   
                  Paul G. Mezey   Proof of the Fukui conjecture via
                                  resolution of singularities and related
                                  methods. V . . . . . . . . . . . . . . . 1700--1712
           M. Uma Maheswari and   
                   L. Rajendran   Analytical solution of non-linear enzyme
                                  reaction equations arising in
                                  mathematical chemistry . . . . . . . . . 1713--1726
             S. Thiagarajan and   
                   A. Meena and   
                  S. Anitha and   
                   L. Rajendran   Analytical expression of the
                                  steady-state catalytic current of
                                  mediated bioelectrocatalysis and the
                                  application of He's Homotopy
                                  perturbation method  . . . . . . . . . . 1727--1740
          S. Sánchez and   
                   F. Casas and   
            A. Fernández   New analytic approximations based on the
                                  Magnus expansion . . . . . . . . . . . . 1741--1758
             Milan Randi\'c and   
                       Rok Orel   On numerical characterization of
                                  proteomics maps based on partitioning of
                                  $2$-D maps into Voronoi regions  . . . . 1759--1768
        Emili Besalú and   
       Ramon Carbó-Dorca   The general Gaussian product theorem . . 1769--1784
                  Hao Zheng and   
                     Weimin Han   On simplified spherical harmonics
                                  equations for the radiative transfer
                                  equation . . . . . . . . . . . . . . . . 1785--1797
 László Varga and   
        Botond Szabó and   
István Gy. Zsély and   
András Zempléni and   
    Tamás Turányi   Numerical investigation of the
                                  uncertainty of Arrhenius parameters  . . 1798--1809
        Debajit Chakraborty and   
                  Paul W. Ayers   Failure of the Weizsäcker kinetic energy
                                  functional for one-, two-, and
                                  three-electron distribution functions    1810--1821
        Debajit Chakraborty and   
                  Paul W. Ayers   Assessment of the March--Santamaria
                                  kinetic energy pair-density functional   1822--1830

Journal of Mathematical Chemistry
Volume 49, Number 9, October, 2011

                    Metin Aktas   Novel bound states treatment of the two
                                  dimensional Schrödinger equation with
                                  pseudocentral potentials plus
                                  multiparameter noncentral potential  . . 1831--1842
           Ibraheem Alolyan and   
                    T. E. Simos   A family of ten-step methods with
                                  vanished phase-lag and its first
                                  derivative for the numerical solution of
                                  the Schrödinger equation  . . . . . . . . 1843--1888
         Thorsten Rohwedder and   
             Reinhold Schneider   An analysis for the DIIS acceleration
                                  method used in quantum chemistry
                                  calculations . . . . . . . . . . . . . . 1889--1914
                   Yuli Liu and   
           Steven K. Burger and   
                  Paul W. Ayers   Newton trajectories for finding
                                  stationary points on molecular potential
                                  energy surfaces  . . . . . . . . . . . . 1915--1927
               Helmut Harbrecht   On analytical derivatives for geometry
                                  optimization in the polarizable
                                  continuum model  . . . . . . . . . . . . 1928--1936
            Chandrachur Das and   
            Kamal Bhattacharyya   Construction of stationary quantum
                                  states with targeted energies  . . . . . 1937--1948
     Carlos Baleizão and   
Mário N. Berberan-Santos   Enzyme kinetics with a twist . . . . . . 1949--1960
             Mihail Barbosu and   
                Vasile Mioc and   
               Daniel Pasca and   
              Ferenc Szenkovits   The two-body problem with generalized
                                  Lennard-Jones potential  . . . . . . . . 1961--1975
Jose Ailton Conceicao Bispo and   
Carlos Francisco Sampaio Bonafe and   
      Volnei Brito de Souza and   
João Batista de Almeida e Silva and   
Giovani Brandao Mafra de Carvalho   Extending the kinetic solution of the
                                  classic Michaelis--Menten model of
                                  enzyme action  . . . . . . . . . . . . . 1976--1995
                Burcu Tunga and   
                 Metin Demiralp   Constancy maximization based weight
                                  optimization in high dimensional model
                                  representation for multivariate
                                  functions  . . . . . . . . . . . . . . . 1996--2012
              I. M. Bayanov and   
                   R. Vanhaelst   The numerical simulation of vanadium
                                  RedOx flow batteries . . . . . . . . . . 2013--2031
                   Bijoy K. Dey   Optimal non-linear dimension reduction
                                  scheme for classical molecular dynamics  2032--2052
                Xiao-Yan Gu and   
                   Shi-Hai Dong   Energy spectrum of the Manning--Rosen
                                  potential including centrifugal term
                                  solved by exact and proper quantization
                                  rules  . . . . . . . . . . . . . . . . . 2053--2062
                Xian'an Jin and   
                     Fuji Zhang   The architecture and the Jones
                                  polynomial of polyhedral links . . . . . 2063--2088
                   Ying Liu and   
                  Bihui Liu and   
                    Yue Liu and   
             Michael G. B. Drew   Correlations between two sets of angular
                                  relation equations . . . . . . . . . . . 2089--2108
       Ramon Carbó-Dorca   Quantum similarity, volume functions and
                                  generalized Carbó indices . . . . . . . . 2109--2115

Journal of Mathematical Chemistry
Volume 49, Number 10, November, 2011

                Gilles Gnacadja   Reachability, persistence, and
                                  constructive chemical reaction networks
                                  (part I): reachability approach to the
                                  persistence of chemical reaction
                                  networks . . . . . . . . . . . . . . . . 2117--2136
                Gilles Gnacadja   Reachability, persistence, and
                                  constructive chemical reaction networks
                                  (part II): a formalism for species
                                  composition in chemical reaction network
                                  theory and application to persistence    2137--2157
                Gilles Gnacadja   Reachability, persistence, and
                                  constructive chemical reaction networks
                                  (part III): a mathematical formalism for
                                  binary enzymatic networks and
                                  application to persistence . . . . . . . 2158--2176
                     H. Hogreve   Rigorous energy bounds for two-electron
                                  systems  . . . . . . . . . . . . . . . . 2177--2189
                   Yue Chan and   
                  James M. Hill   Dynamics of benzene molecules situated
                                  in metal-organic frameworks  . . . . . . 2190--2209
                  M. Falati and   
                     G. Hojjati   Integration of chemical stiff ODEs using
                                  exponential propagation method . . . . . 2210--2230
           E. Besalú and   
          R. Carbó-Dorca   $n$-Dimensional Euclidean space Gaussian
                                  enfoldment . . . . . . . . . . . . . . . 2231--2243
   Ramon Carbó-Dorca and   
            Emili Besalú   Geometry of $n$-dimensional Euclidean
                                  space Gaussian enfoldments . . . . . . . 2244--2249
              Slavik Jablan and   
         Ljiljana Radovi\'c and   
           Radmila Sazdanovi\'c   Nonplanar graphs derived from Gauss
                                  codes of virtual knots and links . . . . 2250--2267
                N. H. March and   
                 Á. Nagy   Scaling of some chemical properties of
                                  tetrahedral and octahedral molecules
                                  plus almost spherical C and B cages  . . 2268--2274
              David F. Anderson   Boundedness of trajectories for weakly
                                  reversible, single linkage class
                                  reaction systems . . . . . . . . . . . . 2275--2290
                  D. Baowan and   
                 N. Thamwattana   Modelling adsorption of a water molecule
                                  into various pore structures of silica
                                  gel  . . . . . . . . . . . . . . . . . . 2291--2307
            Roman F. Nalewajski   Entropy/information descriptors of the
                                  chemical bond revisited  . . . . . . . . 2308--2329
                   Laszlo Tarko   A new manner to use application of
                                  Shannon Entropy in similarity
                                  computation  . . . . . . . . . . . . . . 2330--2344
         Dorota Bieli\'nska-Waz   Graphical and numerical representations
                                  of DNA sequences: statistical aspects of
                                  similarity . . . . . . . . . . . . . . . 2345--2407
            Dzevad Belki\'c and   
                 Karen Belki\'c   The potential for practical improvements
                                  in cancer diagnostics by
                                  mathematically-optimized magnetic
                                  resonance spectroscopy . . . . . . . . . 2408--2440
               Utz-Uwe Haus and   
           Raymond Hemmecke and   
              Sebastian Pokutta   Reconstructing biochemical cluster
                                  networks . . . . . . . . . . . . . . . . 2441--2456
 María Belén Ruiz   Evaluation of Hylleraas--CI atomic
                                  integrals. III. Two-electron kinetic
                                  energy integrals . . . . . . . . . . . . 2457--2485
                    T. E. Simos   A two-step method with vanished
                                  phase-lag and its first two derivatives
                                  for the numerical solution of the
                                  Schrödinger equation  . . . . . . . . . . 2486--2518


Journal of Mathematical Chemistry
Volume 50, Number 1, January, 2012

      Dávid Csercsik and   
Gábor Szederkényi and   
              Katalin M. Hangos   Parametric uniqueness of deficiency zero
                                  reaction networks  . . . . . . . . . . . 1--8
           Sharmistha Dhatt and   
            Kamal Bhattacharyya   Infinite square well with a sinusoidal
                                  bottom: a candidate for the Klauder
                                  phenomenon?  . . . . . . . . . . . . . . 9--16
          Ernst Joachim Weniger   On the mathematical nature of Guseinov's
                                  rearranged one-range addition theorems
                                  for Slater-type functions  . . . . . . . 17--81
          Suraju Olusegun Ajadi   Thermal explosion characteristics in a
                                  reduced kinetics model . . . . . . . . . 82--98
                 Genyuan Li and   
                Herschel Rabitz   General formulation of HDMR component
                                  functions with independent and
                                  correlated variables . . . . . . . . . . 99--130
                    Xiaoling Ke   A lower bound on the number of
                                  elementary components of essentially
                                  disconnected generalized polyomino
                                  graphs . . . . . . . . . . . . . . . . . 131--140
              V. Skakauskas and   
                   P. Katauskis   Numerical study of the kinetics of
                                  unimolecular heterogeneous reactions
                                  onto planar surfaces . . . . . . . . . . 141--154
        Raffaele D'Ambrosio and   
             Elena Esposito and   
           Beatrice Paternoster   Parameter estimation in exponentially
                                  fitted hybrid methods for second order
                                  differential problems  . . . . . . . . . 155--168
            Parker Rogerson and   
              Gustavo A. Arteca   Size scaling behaviour in protein
                                  domains belonging to the all-$ \alpha $,
                                  all-$ \beta $, $ \alpha / \beta $, and $
                                  \alpha + \beta $ folding classes . . . . 169--186
            Mathieu Kessler and   
       José Pérez   Equivalence properties of the Cremer &
                                  Pople puckering coordinates for
                                  $N$-membered rings . . . . . . . . . . . 187--209
   Ramon Carbó-Dorca and   
            Emili Besalú   Shells, point cloud huts, generalized
                                  scalar products, cosines and similarity
                                  tensor representations in vector
                                  semispaces . . . . . . . . . . . . . . . 210--219
               Nils A. Baas and   
              Nadrian C. Seeman   On the chemical synthesis of new
                                  topological structures . . . . . . . . . 220--232
                H. H. Corzo and   
               H. G. Laguna and   
                    R. P. Sagar   Localization-delocalization phenomena in
                                  a cyclic box . . . . . . . . . . . . . . 233--248
          Tomotaka Miyazawa and   
           Munehiro Aratake and   
                   Susumu Onaka   Superspherical-shape approximation to
                                  describe the morphology of small
                                  crystalline particles having
                                  near-polyhedral shapes with round edges  249--260
                   Rui Yang and   
                   Heping Zhang   Hexagonal resonance of (3,6)-fullerenes  261--273
        Matthew D. Johnston and   
               David Siegel and   
Gábor Szederkényi   A linear programming approach to weak
                                  reversibility and linear conjugacy of
                                  chemical reaction networks . . . . . . . 274--288
                M. E. Kanal and   
              N. A. Baykara and   
                    M. Demiralp   Theory and algorithm of the inversion
                                  method for pentadiagonal matrices  . . . 289--299
              Duangkamon Baowan   Modelling of carbon dioxide: methane
                                  separation using titanium dioxide
                                  nanotubes  . . . . . . . . . . . . . . . 300--309

Journal of Mathematical Chemistry
Volume 50, Number 2, February, 2012

   Jesús Vigo-Aguiar and   
              Juan L. G. Guirao   Advances in computational and
                                  mathematical chemistry . . . . . . . . . 311--312
      Ramón Escobedo and   
       Luis A. Fernández   Optimal cooling strategies in polymer
                                  crystallization  . . . . . . . . . . . . 313--324
            M. A. Rey-Ronco and   
   T. Alonso-Sánchez and   
     M. P. Castro-García   Modeling of neutron activation process
                                  with americium beryllium source.
                                  Application to the activation of
                                  fluorspar samples  . . . . . . . . . . . 325--334
      Alberto Maria Bersani and   
               Guido Dell'Acqua   Is there anything left to say on enzyme
                                  kinetic constants and quasi-steady state
                                  approximation? . . . . . . . . . . . . . 335--344
                  P. Alonso and   
                 R. Cortina and   
                 J. Ranilla and   
                    A. M. Vidal   An efficient and scalable block parallel
                                  algorithm of Neville elimination as a
                                  tool for the CMB maps problem  . . . . . 345--358
             Raquel Cumeras and   
            Isabel Gr\`acia and   
            Eduard Figueras and   
               Luis Fonseca and   
          Joaquin Santander and   
              Marc Salleras and   
              Carlos Calaza and   
         Neus Sabaté and   
             Carles Cané   Modelling a P-FAIMS with multiphysics
                                  FEM  . . . . . . . . . . . . . . . . . . 359--373
Juan Luis García Guirao and   
      María T. de Bustos   Dynamics of pseudo-radioactive chemical
                                  products via sampling theory . . . . . . 374--378
   Jesús Vigo-Aguiar and   
               Ian Hamilton and   
                Stephen K. Gray   Computer science and mathematics for
                                  chemistry-related applications . . . . . 379--380
            B. Cantó and   
              S. C. Cardona and   
                    C. Coll and   
       J. Navarro-Laboulais and   
              E. Sánchez   Dynamic optimization of a gas-liquid
                                  reactor  . . . . . . . . . . . . . . . . 381--393
   T. Alonso-Sánchez and   
            M. A. Rey-Ronco and   
 M. P. Castro-García and   
 F. J. Carnero-Rodríguez   Design for an asymmetrical cyclic
                                  neutron activation process for
                                  determining fluorite grade in fluorspar
                                  concentrate  . . . . . . . . . . . . . . 394--409
                  P. Alonso and   
            F. Argüeso and   
                 R. Cortina and   
                 J. Ranilla and   
                    A. M. Vidal   Detecting point sources in CMB maps
                                  using an efficient parallel algorithm    410--420
                Timo Strunk and   
                Moritz Wolf and   
                Wolfgang Wenzel   Peptide structure prediction using
                                  distributed volunteer computing networks 421--428
José R. Fernández and   
María del Carmen Muñiz and   
   Cristina Núñez   Numerical behavior of a linear mixed
                                  kinetic-diffusion model for surfactant
                                  adsorption at the air-water interface    429--438

Journal of Mathematical Chemistry
Volume 50, Number 3, March, 2012

       Patrick Cassam-Chena\"\i   Guest editorial  . . . . . . . . . . . . 439--439
      Kurusch Ebrahimi-Fard and   
José M. Gracia-Bondía   Harmonium as a laboratory for
                                  mathematical chemistry . . . . . . . . . 440--454
                   Brian Weiner   Generalized $P$, $Q$ and $G$ conditions  455--491
          Carmela Valdemoro and   
            Diego R. Alcoba and   
       Ofelia B. Oña and   
                Luis M. Tel and   
Encarnación Pérez-Romero   Combining the $G$-particle-hole
                                  hypervirial equation and the Hermitian
                                  operator method to study electronic
                                  excitations and de-excitations . . . . . 492--509
            Grzegorz Pestka and   
          Miros\law Bylicki and   
                Jacek Karwowski   Geminals in Dirac--Coulomb Hamiltonian
                                  eigenvalue problem . . . . . . . . . . . 510--533
Péter R. Surján and   
      Ágnes Szabados and   
    Péter Jeszenszki and   
            Tamás Zoboki   Strongly orthogonal geminals:
                                  size-extensive and variational reference
                                  states . . . . . . . . . . . . . . . . . 534--551
          Christian Brouder and   
  Frédéric Patras   Nonlocal, noncommutative diagrammatics
                                  and the linked cluster theorems  . . . . 552--576
              Roberto Marquardt   Non linear adjustments with external
                                  conditions . . . . . . . . . . . . . . . 577--587
                Claire Rist and   
                Alexandre Faure   A Monte Carlo error estimator for the
                                  expansion of rigid-rotor potential
                                  energy surfaces  . . . . . . . . . . . . 588--601
             Raoul Bourquin and   
           Vasile Gradinaru and   
             George A. Hagedorn   Non-adiabatic transitions near avoided
                                  crossings: theory and numerics . . . . . 602--619
Clotilde Fermanian-Kammerer and   
                Caroline Lasser   Single switch surface hopping for
                                  molecular quantum dynamics . . . . . . . 620--635
              Viktor Szalay and   
  Tamás Szidarovszky and   
  Gábor Czakó and   
Attila G. Császár   A paradox of grid-based representation
                                  techniques: accurate eigenvalues from
                                  inaccurate matrix elements . . . . . . . 636--651
        P. Cassam-Chena\"\i and   
                      A. Ilmane   Frequently asked questions on the mean
                                  field configuration interaction method.
                                  I --- Distinguishable degrees of freedom 652--667

Journal of Mathematical Chemistry
Volume 50, Number 4, April, 2012

              Akitomo Tachibana   General relativistic symmetry of
                                  electron spin torque . . . . . . . . . . 669--688
                 Weimin Han and   
         Joseph A. Eichholz and   
                        Ge Wang   On a family of differential
                                  approximations of the radiative transfer
                                  equation . . . . . . . . . . . . . . . . 689--702
             Izabella Irsai and   
            Cornelia Majdik and   
            Alexandru Lupan and   
        Radu Silaghi-Dumitrescu   Secondary structure elements in
                                  polylactic acid models . . . . . . . . . 703--733
       Ramon Carbó-Dorca   Scaled Euclidian distances: a general
                                  dissimilarity index with a suitably
                                  defined geometrical foundation . . . . . 734--740
       Ramon Carbó-Dorca   Symmetrical overlap transformations of
                                  function basis sets: the LCAO MO and
                                  quantum similarity practical cases . . . 741--751
                  Banghe Li and   
                      Bo Li and   
                   Yuefeng Shen   An improved method to measure all rate
                                  constants in the simplest enzyme
                                  kinetics model . . . . . . . . . . . . . 752--764
            Les\law K. Bieniasz   Automatic simulation of electrochemical
                                  transients by the adaptive Huber method
                                  for Volterra integral equations
                                  involving Kernel terms $ \exp [ - \alpha
                                  (t - \tau)] {\rm erex} \{ [\beta (t -
                                  \tau)]^{1 / 2} \} $ and $ \exp [ -
                                  \alpha (t - \tau)] {\rm daw} \{ [\beta
                                  (t \tau)]^{1 / 2} \} $ . . . . . . . . . 765--781
           Ibraheem Alolyan and   
                    T. E. Simos   New open modified
                                  trigonometrically-fitted Newton--Cotes
                                  type multilayer symplectic integrators
                                  for the numerical solution of the
                                  Schrödinger equation  . . . . . . . . . . 782--804
                K. T. Gimre and   
        R. V. Whiteley, Jr. and   
                 C. M. Guenther   The analytical determination of kinetic
                                  parameters for a bimolecular EC
                                  mechanism from chronoamperometric data   805--818
       Shayak Bhattacharjee and   
                  D. S. Ray and   
            J. K. Bhattacharjee   Bohr--Sommerfeld quantisation and
                                  molecular potentials . . . . . . . . . . 819--832
            M. G. Marmorino and   
          Abdullah Almayouf and   
               Tyler Krause and   
                        Doan Le   Optimization of the Temple lower bound   833--842
                  Paul G. Mezey   Unexpected expectation values for latent
                                  molecular properties . . . . . . . . . . 843--849
             Metin Demiralp and   
              Emre Demiralp and   
          Luis Hernandez-Garcia   A probabilistic foundation for dynamical
                                  systems: theoretical background and
                                  mathematical formulation . . . . . . . . 850--869
              Emre Demiralp and   
             Metin Demiralp and   
          Luis Hernandez-Garcia   A probabilistic foundation for dynamical
                                  systems: phenomenological reasoning and
                                  principal characteristics of
                                  probabilistic evolution  . . . . . . . . 870--880
               Shi-Hai Dong and   
                M. Cruz-Irisson   Energy spectrum for a modified
                                  Rosen--Morse potential solved by proper
                                  quantization rule and its thermodynamic
                                  properties . . . . . . . . . . . . . . . 881--892
             Tomaz Pisanski and   
           Alexandru T. Balaban   Flag graphs and their applications in
                                  mathematical chemistry for benzenoids    893--903
               Sasan Karimi and   
            Anthony Delgado and   
                 Marty Lewinter   A combinatorial/geometric analysis of
                                  parallelogram-like benzenoids  . . . . . 904--913
                N. H. March and   
         G. G. N. Angilella and   
                       R. Pucci   Equation of motion of the correlated
                                  first-order density matrix for the
                                  ground-state of the Hookean atom with
                                  two electrons  . . . . . . . . . . . . . 914--919
                Z. D. Zhang and   
                    N. H. March   Proposed connection between critical
                                  exponents and fractal dimensions in the
                                  Ising model  . . . . . . . . . . . . . . 920--925
                  Paul G. Mezey   Molecular fragment shape variation index
                                  for functional groups and the
                                  holographic properties of electron
                                  density  . . . . . . . . . . . . . . . . 926--933
                  Eva Simon and   
                  Paul G. Mezey   Fragment shape variation index for
                                  periodicity deficiency and gradual
                                  changes of internal coordinates along
                                  linear polymers  . . . . . . . . . . . . 934--941
               Zoltan Antal and   
                  Paul G. Mezey   Molecular fragment shape variation index
                                  applied to intramolecular interaction
                                  studies  . . . . . . . . . . . . . . . . 942--948
          Gustavo A. Arteca and   
      Josep M. Aulló and   
                       O. Tapia   Constructing quantum mechanical models
                                  starting from diabatic schemes: Quantum
                                  states for simulations bond
                                  break/formation --- I. Feshbach-like
                                  quantum states and electronuclear wave
                                  functions  . . . . . . . . . . . . . . . 949--970
                 Altug Arda and   
                  Ramazan Sever   Exact solutions of the Schrödinger
                                  equation via Laplace transform approach:
                                  pseudoharmonic potential and Mie-type
                                  potentials . . . . . . . . . . . . . . . 971--980
   Ramon Carbó-Dorca and   
            Emili Besalú   On the nature of atomic shell
                                  approximation (ASA) electrostatic
                                  molecular potentials (EMP) . . . . . . . 981--988
                   Hal L. Smith   Global dynamics of the smallest chemical
                                  reaction system with Hopf bifurcation    989--995
                     Dan Lu and   
               Pan-Pan Zhou and   
                   Wen-Yuan Qiu   Models of virus capsids containing $ 72
                                  $ pentameric capsomeres  . . . . . . . . 996--1002
            Vesselin Petrov and   
                  Fernando Pina   Complete resolution of the reaction
                                  rates of flavylium networks. The role
                                  played by 2-phenyl-2H-chromen-4-ol and
                                  the hydroxyl attack to the quinoidal
                                  base . . . . . . . . . . . . . . . . . . 1003--1019

Journal of Mathematical Chemistry
Volume 50, Number 5, May, 2012

                M. L. Strekalov   Laguerre polynomial solutions to master
                                  equation for vibrational energy
                                  relaxation in gases  . . . . . . . . . . 1021--1030
             Chien-Pin Chou and   
                Henryk A. Witek   Comment on ``Zhang--Zhang polynomials of
                                  cyclo-polyphenacenes'' by Q. Guo, H.
                                  Deng, and D. Chen  . . . . . . . . . . . 1031--1033
         Michael J. Bucknum and   
              Eduardo A. Castro   On the n-diamond and i-carbon
                                  nanocrystalline forms  . . . . . . . . . 1034--1038
              K. J. Oyewumi and   
                      K. D. Sen   Exact solutions of the Schrödinger
                                  equation for the pseudoharmonic
                                  potential: an application to some
                                  diatomic molecules . . . . . . . . . . . 1039--1059
               S. R. Sultan and   
          W. J. N. Fernando and   
                Suhairi A. Sata   Coupled single-particle growth and
                                  kinetics modeling for styrene
                                  polymerization over silica-supported
                                  metallocene catalyst . . . . . . . . . . 1060--1078
            A. I. Aptekarev and   
               J. S. Dehesa and   
   P. Sánchez-Moreno and   
                 D. N. Tulyakov   Rényi entropy of the infinite well
                                  potential in momentum space and
                                  Dirichlet-like trigonometric functionals 1079--1090
                 Teik-Cheng Lim   A power series potential energy function
                                  with adjustable index  . . . . . . . . . 1091--1099
             Elgiz Bairamov and   
    Rukiye Özturk Mert and   
              Zameddin Ismailov   Selfadjoint extensions of a singular
                                  differential operator  . . . . . . . . . 1100--1110
                  Maya Mincheva   Oscillations in non-mass action kinetics
                                  models of biochemical reaction networks
                                  arising from pairs of subnetworks  . . . 1111--1125
                 Weimin Han and   
           Kendall Atkinson and   
                      Hao Zheng   Some integral identities for spherical
                                  harmonics in an arbitrary dimension  . . 1126--1135
           Guido Dell'Acqua and   
          Alberto Maria Bersani   A perturbation solution of
                                  Michaelis--Menten kinetics in a
                                  ``total'' framework  . . . . . . . . . . 1136--1148
                M. L. Strekalov   A uniform semiclassical representation
                                  of transition probabilities derived from
                                  factorization formulas . . . . . . . . . 1149--1160
   Ramon Carbó-Dorca and   
            Emili Besalú   Centroid origin shift of quantum object
                                  sets and molecular point clouds
                                  description and element comparisons  . . 1161--1178
                 Ilona Nagy and   
       János Tóth   Microscopic reversibility or detailed
                                  balance in ion channel models  . . . . . 1179--1199
            Indra Rajasingh and   
          Albert Muthumalai and   
                 R. Bharati and   
                  A. S. Shanthi   Packing in honeycomb networks  . . . . . 1200--1209
                Shigeru Arimoto   Multidimensional Magic Mountains and
                                  Matrix Art for the generalized repeat
                                  space theory . . . . . . . . . . . . . . 1210--1223
                    T. E. Simos   High order closed Newton--Cotes
                                  exponentially and trigonometrically
                                  fitted formulae as multilayer symplectic
                                  integrators and their application to the
                                  radial Schrödinger equation . . . . . . . 1224--1261
                Artit Hutem and   
                 Sutee Boonchui   Numerical evaluation of second and third
                                  virial coefficients of some inert gases
                                  via classical cluster expansion  . . . . 1262--1276
                  K. Indira and   
                   L. Rajendran   Analytical expression of non
                                  steady-state concentration for the CE
                                  mechanism at a planar electrode  . . . . 1277--1288
          Richard K. F. Lee and   
                  James M. Hill   General formulae for interacting
                                  spherical nanoparticles and fullerenes   1289--1303
                 Xinxing Wu and   
                    Peiyong Zhu   Li--Yorke chaos in a coupled lattice
                                  system related with
                                  Belusov--Zhabotinskii reaction . . . . . 1304--1308
              Shengkai Xing and   
                     Yun Li and   
             Xuezhuang Zhao and   
               Zunsheng Cai and   
             Zhenfeng Shang and   
                 Xiufang Xu and   
                 Ruifang Li and   
                  Guichang Wang   Symmetries and fuzzy symmetries of
                                  graphene molecules . . . . . . . . . . . 1309--1332
         V. Margret PonRani and   
                   L. Rajendran   Mathematical modelling of steady-state
                                  concentration in immobilized glucose
                                  isomerase of packed-bed reactors . . . . 1333--1346
                Mate Barany and   
              Botond Bertok and   
               Csanad Imreh and   
                  L. T. Fan and   
                Ferenc Friedler   On the equivalence of direct mechanisms
                                  and structurally minimal pathways  . . . 1347--1361

Journal of Mathematical Chemistry
Volume 50, Number 6, June, 2012

                Ernesto Estrada   Returnability as a criterion of
                                  disequilibrium in atmospheric reactions
                                  networks . . . . . . . . . . . . . . . . 1363--1372
            Alexandra Goeke and   
          Christian Schilli and   
          Sebastian Walcher and   
                       Eva Zerz   A note on the kinetics of suicide
                                  substrates . . . . . . . . . . . . . . . 1373--1377
           Jerzy Cioslowski and   
                   Joanna Albin   Electrostatic energy of polygonal charge
                                  distributions  . . . . . . . . . . . . . 1378--1385
           Xiao-Sheng Cheng and   
              Xiaoyan Jiang and   
                     Huawei Dai   The braid index of polyhedral links  . . 1386--1397
       Shayak Bhattacharjee and   
            J. K. Bhattacharjee   Lindstedt--Poincaré technique applied to
                                  molecular potentials . . . . . . . . . . 1398--1410
        Wolfgang P. Angerer and   
                  Adolfo Zamora   Eigenvalues of a statistical mechanics
                                  matrix . . . . . . . . . . . . . . . . . 1411--1419
           Robert A. Van Gorder   Schrödinger equations on $ {\mathbb {R}^3
                                  \times \mathcal {M}} $ with
                                  non-separable potential  . . . . . . . . 1420--1436
        Roman F. Nalewajski and   
         Dariusz Szczepanik and   
                  Janusz Mrozek   Basis set dependence of molecular
                                  information channels and their entropic
                                  bond descriptors . . . . . . . . . . . . 1437--1457
            Shane L. Hubler and   
               Gheorghe Craciun   Mass distributions of linear chain
                                  polymers . . . . . . . . . . . . . . . . 1458--1483
                 Altug Arda and   
                  Ramazan Sever   Non-central potentials, exact solutions
                                  and Laplace transform approach . . . . . 1484--1494
            Alexandra Goeke and   
          Christian Schilli and   
          Sebastian Walcher and   
                       Eva Zerz   Computing quasi-steady state reductions  1495--1513
 Béla Barabás and   
        Ottilia Fülöp   Star graph representations of chiral
                                  objects in graph theory  . . . . . . . . 1514--1520
              Janne Pesonen and   
   Krister O. E. Henriksson and   
Jose Ramon López-Blanco and   
            Pablo Chacón   Normal mode analysis of molecular
                                  motions in curvilinear coordinates on a
                                  non-Eckart body-frame: an application to
                                  protein torsion dynamics . . . . . . . . 1521--1549
           Chang Hyeong Lee and   
                     Pilwon Kim   An analytical approach to solutions of
                                  master equations for stochastic
                                  nonlinear reactions  . . . . . . . . . . 1550--1569
              Tadeusz Bancewicz   Excess hyperpolarizabilities: the
                                  irreducible tensor approach  . . . . . . 1570--1581
             Sutee Boonchui and   
                    Artit Hutem   Excited-state energy eigenvalue and
                                  wave-function evaluation of the Gaussian
                                  symmetric double-well potential problem
                                  via numerical shooting method 1  . . . . 1582--1597
   Francisco Garcia-Sevilla and   
      Manuela Garcia-Moreno and   
    Milagros Molina-Alarcon and   
María J. Garcia-Meseguer and   
    José M. Villalba and   
            Enrique Arribas and   
             Ramón Varon   Linear compartmental systems. I. Kinetic
                                  analysis and derivation of their
                                  optimized symbolic equations . . . . . . 1598--1624
   Francisco Garcia-Sevilla and   
      Manuela Garcia-Moreno and   
    Milagros Molina-Alarcon and   
María J. Garcia-Meseguer and   
    José M. Villalba and   
            Enrique Arribas and   
             Ramón Varon   Linear compartmental systems: II --- a
                                  software to obtain the symbolic kinetic
                                  equations  . . . . . . . . . . . . . . . 1625--1648
    Alexander A. Kipriyanov and   
       Alexander A. Kadetov and   
       Alexey A. Kipriyanov and   
          Alexander B. Doktorov   Influence of the force interaction on
                                  accumulation of macroscopic correlations
                                  in elementary reaction $ A + B \to C $   1649--1692
                 Kecai Deng and   
               Jianguo Qian and   
                     Fuji Zhang   Enumerating the total colorings of a
                                  polyhedron and application to polyhedral
                                  links  . . . . . . . . . . . . . . . . . 1693--1705

Journal of Mathematical Chemistry
Volume 50, Number 7, August, 2012

              M. L. Glasser and   
                        I. Nagy   Moments of powers of the Hulthén density  1707--1710
             M. Alper Tunga and   
                 Metin Demiralp   Multivariate data modelling through
                                  Piecewise generalized HDMR method  . . . 1711--1726
  Emilio Martínez Torres   Partition of symmetric powers of
                                  $G$-sets into orbits: application to the
                                  enumeration of force constants . . . . . 1727--1735
                Th. Monovasilis   Phase fitted symplectic partitioned
                                  Runge--Kutta methods for the numerical
                                  integration of the Schrödinger equation   1736--1746
                 Genyuan Li and   
      Roberto Rey-de-Castro and   
                Herschel Rabitz   D-MORPH regression for modeling with
                                  fewer unknown parameters than
                                  observation data . . . . . . . . . . . . 1747--1764
             Sofia Izmailov and   
             XiaoJiang Feng and   
                 Genyuan Li and   
                Herschel Rabitz   A scalable algorithm for molecular
                                  property estimation in high dimensional
                                  scaffold-based libraries . . . . . . . . 1765--1790
                Shinsaku Fujita   Stereoisograms of trigonal bipyramidal
                                  compounds: I. Chirality and
                                  RS-stereogenicity free from the
                                  conventional ``chirality'' and
                                  ``stereogenicity'' . . . . . . . . . . . 1791--1814
                Shinsaku Fujita   Stereoisograms of trigonal bipyramidal
                                  compounds: II.
                                  RS-stereogenicity/RS-stereoisomerism
                                  versus stereogenicity/stereoisomerism,
                                  leading to a revised interpretation of
                                  Berry's pseudorotation . . . . . . . . . 1815--1860
           Ibraheem Alolyan and   
                    T. E. Simos   A new hybrid two-step method with
                                  vanished phase-lag and its first and
                                  second derivatives for the numerical
                                  solution of the Schrödinger equation and
                                  related problems . . . . . . . . . . . . 1861--1881
Moyocoyani Molina-Espíritu and   
        Rodolfo O. Esquivel and   
         Juan Carlos Angulo and   
        Juan Antolín and   
         Jesús S. Dehesa   Information-theoretical complexity for
                                  the hydrogenic identity S$_N$2 exchange
                                  reaction . . . . . . . . . . . . . . . . 1882--1900
            Parker Rogerson and   
              Gustavo A. Arteca   Scaling laws in simple and complex
                                  proteins: size scaling effects
                                  associated with domain number and
                                  folding class  . . . . . . . . . . . . . 1901--1919
                 Altug Arda and   
                  Ramazan Sever   Approximate analytical solutions of a
                                  two-term diatomic molecular potential
                                  with centrifugal barrier . . . . . . . . 1920--1930
            Valentino A. Simpao   HOA (Heaviside Operational Ansatz)
                                  revisited: recent remarks on novel exact
                                  solution methodologies in wavefunction
                                  analysis . . . . . . . . . . . . . . . . 1931--1972
              Huseyin Akcay and   
                  Ramazan Sever   Analytical solutions of Schrödinger
                                  equation for the diatomic molecular
                                  potentials with any angular momentum . . 1973--1987
          Guo-Qing Huang-Fu and   
                 Min-Cang Zhang   Solutions of the Schrödinger equation in
                                  the tridiagonal representation with the
                                  noncentral electric dipole plus a novel
                                  angle-dependent component  . . . . . . . 1988--2000
               Mantas Puida and   
       Albertas Malinauskas and   
            Feliksas Ivanauskas   Modeling of electrocatalysis at
                                  chemically modified electrodes: a
                                  combination of second-order and
                                  Michaelis-type chemical kinetics . . . . 2001--2011
      Vladimir R. Rosenfeld and   
           Douglas J. Klein and   
                 Josep M. Oliva   Enumeration of polycarborane isomers:
                                  especially dicarboranes  . . . . . . . . 2012--2022
    Evrim Korkmaz Özay and   
                 Metin Demiralp   Combined small scale high dimensional
                                  model representation . . . . . . . . . . 2023--2042
                Erin LeDell and   
                    Prabhat and   
         Dmitry Yu. Zubarev and   
               Brian Austin and   
         William A. Lester, Jr.   Classification of nodal pockets in
                                  many-electron wave functions via machine
                                  learning . . . . . . . . . . . . . . . . 2043--2050
          J. P. Killingbeck and   
                    A. Lakhlifi   Calculating probabilities without
                                  quadrature . . . . . . . . . . . . . . . 2051--2060

Journal of Mathematical Chemistry
Volume 50, Number 8, September, 2012

             Wolfgang Quapp and   
             Josep Maria Bofill   Topography of cyclopropyl radical ring
                                  opening to allyl radical on the
                                  CASSCF(3,3) surface: valley-ridge
                                  inflection points by Newton trajectories 2061--2085
                Artit Hutem and   
                 Sutee Boonchui   Evaluation of Coulomb and exchange
                                  integrals for higher excited states of
                                  helium atom by using spherical harmonics
                                  series . . . . . . . . . . . . . . . . . 2086--2102
             Sutee Boonchui and   
                    Artit Hutem   Excited-state energy eigenvalue and
                                  wave-function evaluation of the Gaussian
                                  asymmetric double-well potential problem
                                  via numerical shooting method 2  . . . . 2103--2119
    Kristine Krukle-Berzina and   
              Andris Actins and   
                  Agris Berzins   A new methodology for the simulation of
                                  solid state phase transition kinetics by
                                  combination of nucleation and nuclei
                                  growth processes . . . . . . . . . . . . 2120--2129
             V. V. Gubernov and   
             J. J. Sharples and   
                H. S. Sidhu and   
             A. C. McIntosh and   
                    J. Brindley   Properties of combustion waves in the
                                  model with competitive exo- and
                                  endothermic reactions  . . . . . . . . . 2130--2140
            Denis Ponomarev and   
           Elisabeth Rodier and   
            Martial Sauceau and   
   Clémence Nikitine and   
              Vadim Mizonov and   
                  Jacques Fages   Modelling non-homogeneous flow and
                                  residence time distribution in a
                                  single-screw extruder by means of Markov
                                  chains . . . . . . . . . . . . . . . . . 2141--2154
      Gustavo E. Massaccesi and   
            Diego R. Alcoba and   
           Ofelia B. Oña   Symmetry-adapted formulation of the
                                  $G$-particle-hole hypervirial equation
                                  method . . . . . . . . . . . . . . . . . 2155--2167
                Shinsaku Fujita   Importance of the proligand-promolecule
                                  model in stereochemistry. II. The
                                  stereoisogram approach to stereoisomeric
                                  features of prismane derivatives . . . . 2168--2201
                Shinsaku Fujita   Importance of the proligand-promolecule
                                  model in stereochemistry. I. The
                                  unit-subduced-cycle-index (USCI)
                                  approach to geometric features of
                                  prismane derivatives . . . . . . . . . . 2202--2222
                Burcu Tunga and   
                 Metin Demiralp   Hybrid HDMR method with an optimized
                                  hybridity parameter in multivariate
                                  function representation  . . . . . . . . 2223--2238
                  Tonghua Zhang   Global analysis of continuous flow
                                  bioreactor and membrane reactor models
                                  with death and maintenance . . . . . . . 2239--2247
             Xuezhuang Zhao and   
              Shengkai Xing and   
                     Yun Li and   
               Zunsheng Cai and   
                Yinming Pan and   
             Zhenfeng Shang and   
              Guichang Wang and   
                 Xiufang Xu and   
                     Ruifang Li   Molecular torus group  . . . . . . . . . 2248--2271
          Patrick W. Fowler and   
     Mohammadreza Jooyandeh and   
               Gunnar Brinkmann   Face-spiral codes in cubic polyhedral
                                  graphs with face sizes no larger than 6  2272--2280
         Michael J. Bucknum and   
          Eduardo A. Castro and   
                        Bin Wen   Isoglitter . . . . . . . . . . . . . . . 2281--2290
       Mazvydas Mackevicius and   
        Feliksas Ivanauskas and   
            Aivaras Kareiva and   
                Darius Jasaitis   A closer look at the computer modeling
                                  and sintering optimization in the
                                  preparation of YAG . . . . . . . . . . . 2291--2302
               Neetik Mukherjee   New state dependent uncertainty
                                  principle and design of objective
                                  function for optimisation: utility of
                                  kinetic and potential energy
                                  uncertainties  . . . . . . . . . . . . . 2303--2316
               R. Pourgholi and   
               N. Tavallaie and   
                     S. Foadian   Applications of Haar basis method for
                                  solving some ill-posed inverse problems  2317--2337

Journal of Mathematical Chemistry
Volume 50, Number 9, October, 2012

       Ramon Carbó-Dorca   Quantum similarity matrices column set
                                  as holograms of DF molecular point
                                  clouds . . . . . . . . . . . . . . . . . 2339--2341
           Matthew Hudelson and   
       Barbara Logan Mooney and   
                Aurora E. Clark   Determining polyhedral arrangements of
                                  atoms using PageRank . . . . . . . . . . 2342--2350
           Ibraheem Alolyan and   
                    T. E. Simos   A new high order two-step method with
                                  vanished phase-lag and its derivatives
                                  for the numerical integration of the
                                  Schrödinger equation  . . . . . . . . . . 2351--2373
                 Meihua Wei and   
                 Jianhua Wu and   
                     Gaihui Guo   Turing structures and stability for the
                                  $1$-D Lengyel--Epstein system  . . . . . 2374--2396
            M. G. Marmorino and   
          Abdullah Almayouf and   
               Tyler Krause and   
                        Doan Le   Lower bound to the ground-state
                                  expectation value of a positive
                                  unbounded operator using related bounded
                                  operators  . . . . . . . . . . . . . . . 2397--2407
          Patrick W. Fowler and   
              Wendy Myrvold and   
                William H. Bird   Counterexamples to a proposed algorithm
                                  for Fries structures of benzenoids . . . 2408--2426
             Aditya Kaushik and   
            Ved Prakash Kaushik   Analytic solution of nonlinear
                                  singularly perturbed initial value
                                  problems through iteration . . . . . . . 2427--2438
                 Xinxing Wu and   
                    Peiyong Zhu   The principal measure and distributional
                                  $ (p, q)$-chaos of a coupled lattice
                                  system related with
                                  Belusov--Zhabotinskii reaction . . . . . 2439--2445
            Shane L. Hubler and   
               Gheorghe Craciun   Counting chemical compositions using
                                  Ehrhart quasi-polynomials  . . . . . . . 2446--2470
               R. N. Kuzmin and   
              D. S. Maximov and   
            N. P. Savenkova and   
                A. V. Shobukhov   Mathematical modeling of hysteresis in
                                  porous electrodes  . . . . . . . . . . . 2471--2477
            Diego R. Alcoba and   
       Ofelia B. Oña and   
          Carmela Valdemoro and   
                Luis M. Tel and   
          Gustavo E. Massaccesi   Drawing information from the ground
                                  state $G$-particle-hole matrix to study
                                  electronic excited states  . . . . . . . 2478--2491
               Lorenzo Fusi and   
           Alessandro Monti and   
               Mario Primicerio   Determining calcium carbonate
                                  neutralization kinetics from
                                  experimental laboratory data . . . . . . 2492--2511
        Mansoor H. Alshehri and   
               Barry J. Cox and   
                  James M. Hill   Interaction of double-stranded DNA
                                  inside single-walled carbon nanotubes    2512--2526
            Dzevad Belki\'c and   
                 Karen Belki\'c   A meta-analysis of studies using MR
                                  spectroscopy for evaluating suspicious
                                  lesions after radiation therapy of
                                  primary brain tumors . . . . . . . . . . 2527--2557
            Dzevad Belki\'c and   
                 Karen Belki\'c   Magnetic resonance spectroscopy with
                                  high-resolution and exact quantification
                                  in the presence of noise for improving
                                  ovarian cancer detection . . . . . . . . 2558--2576
                  G. Milani and   
                      F. Milani   Direct and closed form analytical model
                                  for the prediction of reaction kinetic
                                  of EPDM accelerated sulphur
                                  vulcanization  . . . . . . . . . . . . . 2577--2605
            Shigeru Arimoto and   
           Mark Spivakovsky and   
              Massoud Amini and   
               Eiji Yoshida and   
           Masaaki Yokotani and   
                   Tokio Yamabe   Repeat space theory applied to carbon
                                  nanotubes and related molecular
                                  networks. III  . . . . . . . . . . . . . 2606--2622
       Konstantin Fackeldey and   
              Martina Klimm and   
                   Marcus Weber   A coarse graining method for the
                                  dimension reduction of the state space
                                  of biomolecules  . . . . . . . . . . . . 2623--2635

Journal of Mathematical Chemistry
Volume 50, Number 10, November, 2012

              Hai-Ying Shan and   
                    Jia-Yu Shao   The proof of a conjecture on the
                                  comparison of the energies of trees  . . 2637--2647
        John P. Killingbeck and   
                 Alain Grosjean   A simple Hill-series approach to the
                                  linear potential . . . . . . . . . . . . 2648--2658
                 Min-Cang Zhang   Tridiagonal treatment for the Schrödinger
                                  equation with a noncentral electric
                                  dipole ring-shaped potential . . . . . . 2659--2670
               Daniel Pasca and   
           Cláudia Valls   Qualitative analysis of the anisotropic
                                  two-body problem with generalized
                                  Lennard-Jones potential  . . . . . . . . 2671--2688
                   Rok Orel and   
                 Milan Randi\'c   On characterizing proteomics maps by
                                  using weighted Voronoi maps  . . . . . . 2689--2702
             Alex Rodriguez and   
            M. Santos Tomas and   
           Jaime Rubio-Martinez   A benchmark calculation for the fuzzy
                                  $c$-means clustering algorithm: initial
                                  memberships  . . . . . . . . . . . . . . 2703--2715
Sirin A. Büyükasik and   
               Oktay K. Pashaev   Exactly solvable Madelung fluid and
                                  complex Burgers equations: a quantum
                                  Sturm--Liouville connection  . . . . . . 2716--2745
                     Aihui Zhou   Hohenberg--Kohn theorem for Coulomb type
                                  systems and its generalization . . . . . 2746--2754
             Milan Randi\'c and   
            Marjana Novi\'c and   
                Dejan Plavsi\'c   $ \pi $-Electron currents in fixed $ \pi
                                  $-sextet aromatic benzenoids . . . . . . 2755--2774
               G. Hariharan and   
               V. Ponnusami and   
                    R. Srikanth   Wavelet method to film-pore diffusion
                                  model for methylene blue adsorption onto
                                  plant leaf powders . . . . . . . . . . . 2775--2785


Journal of Mathematical Chemistry
Volume 51, Number 1, January, 2013

        Kamal Bhattacharyya and   
                  Karabi Halder   A mixed-entropic uncertainty relation    1--6
            Roman F. Nalewajski   Information-theoretic multiplicities of
                                  chemical bond in Shull's model of H$_2$  7--20
      Vladimir R. Rosenfeld and   
               Douglas J. Klein   Enumeration of substitutional isomers
                                  with restrictive mutual positions of
                                  ligands: I. Overall counts . . . . . . . 21--37
             Metin Demiralp and   
                  Emre Demiralp   A contemporary linear representation
                                  theory for ordinary differential
                                  equations: multilinear algebra in folded
                                  arrays (folarrs) perspective and its use
                                  in multidimensional case . . . . . . . . 38--57
             Metin Demiralp and   
                  Emre Demiralp   A contemporary linear representation
                                  theory for ordinary differential
                                  equations: probabilistic evolutions and
                                  related approximants for unidimensional
                                  autonomous systems . . . . . . . . . . . 58--72
              A. V. Lebedev and   
                 M. V. Okun and   
              V. A. Chorkov and   
                P. M. Tokar and   
                   M. Strelkova   Systematic procedure for reduction of
                                  kinetic mechanisms of complex chemical
                                  processes and its software
                                  implementation . . . . . . . . . . . . . 73--107
                M. L. Strekalov   Collisional energy transfer with
                                  statistical energy exchange: an
                                  analytical solution in the statistical
                                  limit  . . . . . . . . . . . . . . . . . 108--116
             C. Van Alsenoy and   
                    N. H. March   Positive ions of SiH$_4$:
                                  Jahn--Teller-like distortions for
                                  SiH$_4^+$ and eventually molecular
                                  collapse on further ionisation . . . . . 117--124
  Alejandro Morales-Bayuelo and   
            Ricardo Vivas-Reyes   Topological model to quantify the global
                                  reactivity indexes as local in
                                  Diels--Alder reactions, using density
                                  function theory (DFT) and local quantum
                                  similarity (LQS) . . . . . . . . . . . . 125--143
Jose Ailton Conceicao Bispo and   
Carlos Francisco Sampaio Bonafe and   
Maria Gabriela Bello Koblitz and   
Carlos Geilson Santana Silva and   
        Ancelmo Rabelo de Souza   Substrate and enzyme concentration
                                  dependence of the
                                  Henri--Michaelis--Menten model probed by
                                  numerical simulation . . . . . . . . . . 144--152
                Badal Joshi and   
                      Anne Shiu   Atoms of multistationarity in chemical
                                  reaction networks  . . . . . . . . . . . 153--178
                H. H. Corzo and   
          E. Castaño and   
               H. G. Laguna and   
                    R. P. Sagar   Measuring localization-delocalization
                                  phenomena in a quantum corral  . . . . . 179--193
                    T. E. Simos   New high order multiderivative explicit
                                  four-step methods with vanished
                                  phase-lag and its derivatives for the
                                  approximate solution of the Schrödinger
                                  equation. Part I: Construction and
                                  theoretical analysis . . . . . . . . . . 194--226
                 M. Hamzavi and   
              S. M. Ikhdair and   
                   K.-E. Thylwe   Equivalence of the empirical shifted
                                  Deng--Fan oscillator potential for
                                  diatomic molecules . . . . . . . . . . . 227--238
      Vladimir R. Rosenfeld and   
               Douglas J. Klein   Enumeration of substitutional isomers
                                  with restrictive mutual positions of
                                  ligands. II. Counts with restrictions on
                                  (sub)symmetry  . . . . . . . . . . . . . 239--264
               L. B. Castro and   
                A. S. de Castro   Trapping of a particle in a short-range
                                  harmonic potential well  . . . . . . . . 265--277
                Anh D. Phan and   
             Lilia M. Woods and   
                     N. A. Viet   Temperature phase transition model for
                                  the DNA--CNTs-based nanotweezers . . . . 278--288
       Ramon Carbó-Dorca   Mathematical aspects of the LCAO MO
                                  first order density function (5):
                                  centroid shifting of MO shape functions
                                  basis set, properties and applications   289--296
            Roman F. Nalewajski   Entropic representation in the theory of
                                  molecular electronic structure . . . . . 297--315
           Chang Hyeong Lee and   
                Jaemin Shin and   
                    Junseok Kim   A numerical characteristic method for
                                  probability generating functions on
                                  stochastic first-order reaction networks 316--337
       Ramon Carbó-Dorca   Collective Euclidian distances and
                                  quantum similarity . . . . . . . . . . . 338--353
              Lianzhu Zhang and   
                Shouliu Wei and   
                     Fuliang Lu   The number of Kekulé structures of
                                  polyominos on the torus  . . . . . . . . 354--368
            Roman F. Nalewajski   Use of Harriman's construction in
                                  determining molecular equilibrium states 369--381
   Ramon Carbó-Dorca and   
            Emili Besalú   EMP as a similarity measure: a geometric
                                  point of view  . . . . . . . . . . . . . 382--389
               Yonglei Fang and   
                  Xiong You and   
                    Qinghe Ming   New optimized explicit modified RKN
                                  methods for the numerical solution of
                                  the Schrödinger equation  . . . . . . . . 390--411

Journal of Mathematical Chemistry
Volume 51, Number 2, February, 2013

       Ramon Carbó-Dorca   About the concept of Chemical Space: a
                                  concerned reflection on some trends of
                                  modern scientific thought within
                                  theoretical chemical lore  . . . . . . . 413--419
       Ramon Carbó-Dorca   Position-momentum Heisenberg uncertainty
                                  in Gaussian enfoldments of Euclidian
                                  space  . . . . . . . . . . . . . . . . . 420--426
               Josef Paldus and   
                Tokuei Sako and   
                Xiangzhu Li and   
          Geerd H. F. Diercksen   Symmetry-breaking in the independent
                                  particle model: nature of the singular
                                  behavior of Hartree--Fock potentials . . 427--450
              Zhenzhen Chen and   
                  Tonghua Zhang   Long time behaviour of a stochastic
                                  model for continuous flow bioreactor . . 451--464
                      G. Milani   Effective GA approach for a direct
                                  evaluation of reaction kinetic within
                                  EPDM accelerated sulphur crosslinking    465--491
              V. Skakauskas and   
                   P. Katauskis   Numerical study of long-range surface
                                  diffusion influence on catalytic
                                  reactivity of spatially inhomogeneous
                                  planar surfaces  . . . . . . . . . . . . 492--502
                    Yue Liu and   
                   Ying Liu and   
             Michael G. B. Drew   Correlation between Fourier series
                                  expansion and Hückel orbital theory . . . 503--531
           Ibraheem Alolyan and   
                    T. E. Simos   High order four-step hybrid method with
                                  vanished phase-lag and its derivatives
                                  for the approximate solution of the
                                  Schrödinger equation  . . . . . . . . . . 532--555
              F. N. Pereira and   
           G. S. L. Andreis and   
           A. L. De Bortoli and   
          N. R. Marcílio   Analytical-numerical solution for
                                  turbulent jet diffusion flames of
                                  hydrogen . . . . . . . . . . . . . . . . 556--568
             Monica Bianchi and   
         Alessandra Cornaro and   
  José Luis Palacios and   
                  Anna Torriero   Bounds for the Kirchhoff index via
                                  majorization techniques  . . . . . . . . 569--587
               Biswajit Das and   
           Kinshuk Banerjee and   
            Gautam Gangopadhyay   Entropy production of a mechanically
                                  driven single oligomeric enzyme: a
                                  consequence of fluctuation theorem . . . 588--602
                 Saihua Liu and   
                    Jianping Ou   On maximal resonance of polyomino graphs 603--619
                  E. Romera and   
                R. del Real and   
                 M. Calixto and   
                    S. Nagy and   
                 Á. Nagy   Rényi entropy of the U(3) vibron model    620--636
                  Qunyi Bie and   
                      Qiru Wang   Stationary patterns in a two-cell
                                  coupled isothermal chemical system with
                                  arbitrary powers of autocatalysis  . . . 637--659
   Ramon Carbó-Dorca and   
            Emili Besalú   Function extended spaces . . . . . . . . 660--671
     Johannes W. R. Martini and   
           Martin Schlather and   
            G. Matthias Ullmann   On the interaction of two different
                                  types of ligands binding to the same
                                  molecule part I: basics and the transfer
                                  of the decoupled sites representation to
                                  systems with $n$ and one binding sites   672--695
     Johannes W. R. Martini and   
           Martin Schlather and   
            G. Matthias Ullmann   On the interaction of different types of
                                  ligands binding to the same molecule.
                                  Part II: systems with $n$ to $2$ and $n$
                                  to $3$ binding sites . . . . . . . . . . 696--714
                   Ying Liu and   
                    Yue Liu and   
             Michael G. B. Drew   A mathematical approach to chemical
                                  equilibrium theory for gaseous systems
                                  --- I: theory  . . . . . . . . . . . . . 715--740
                   Ying Liu and   
                    Yue Liu and   
             Michael G. B. Drew   A mathematical approach to chemical
                                  equilibrium theory for gaseous systems
                                  --- II: extensions and applications  . . 741--762
                 Ali Akbari and   
            Norman H. March and   
                    Angel Rubio   A proposed family of variationally
                                  correlated first-order density matrices
                                  for spin-polarized three-electron model
                                  atoms  . . . . . . . . . . . . . . . . . 763--773
       Ramon Carbó-Dorca   Simple comparison of atomic population
                                  and shape atomic populations
                                  distributions between two molecular
                                  structures with a coherent number of
                                  atoms  . . . . . . . . . . . . . . . . . 774--784
                 YouNing Li and   
               HuaJun Huang and   
                      Dong Ruan   Indecomposable representations and boson
                                  realizations of the nonlinear deformed
                                  angular momentum algebra of Witten's
                                  first type . . . . . . . . . . . . . . . 785--809

Journal of Mathematical Chemistry
Volume 51, Number 3, March, 2013

              Ian N. Weaver and   
               Donald F. Weaver   A simple electrotopological index for
                                  quantitative structure-activity
                                  relationship correlation of physical
                                  properties with biomolecular activities  811--816
               Sasan Karimi and   
             Marty Lewinter and   
           Michael Kuepfert and   
                Anthony Delgado   Resonance structure counts in contorted
                                  and flat hexabenzocoronenes  . . . . . . 817--825
                        D. Vogt   On approximate analytical solutions of
                                  differential equations in enzyme
                                  kinetics using homotopy perturbation
                                  method . . . . . . . . . . . . . . . . . 826--842
       Ramon Carbó-Dorca   A na\"\ive geometrical perspective of
                                  Fukui functions: definition of Fukui
                                  function skew symmetric matrices
                                  described on density function sets . . . 843--856
   Dorota Bieli\'nska-W\kaz and   
                Piotr W\kaz and   
              Timothy Clark and   
               Tomasz Puzyn and   
           Lukasz Peplowski and   
                 Wies\law Nowak   Statistical properties of spectra of
                                  chloronaphthalenes . . . . . . . . . . . 857--867
              M. J. Bucknum and   
     Dasari L. V. K. Prasad and   
                   E. A. Castro   Exocyclobutadieneite . . . . . . . . . . 868--880
                Ji-Teng Jia and   
                Tomohiro Sogabe   A novel algorithm for solving quasi
                                  penta-diagonal linear systems  . . . . . 881--889
                  M. Merkli and   
               G. P. Berman and   
                       R. Sayre   Electron transfer reactions: generalized
                                  spin-boson approach  . . . . . . . . . . 890--913
               Paulius Miskinis   Modelling linear reactions in
                                  inhomogeneous catalytic systems  . . . . 914--926
        Farnaz Heidar Zadeh and   
                  Paul W. Ayers   Molecular alignment as a penalized
                                  permutation Procrustes problem . . . . . 927--936
                 Shiwei Liu and   
                 Juan Zheng and   
                   Yonglei Fang   A new modified embedded $ 5 (4) $ pair
                                  of explicit Runge--Kutta methods for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 937--953
               Neetik Mukherjee   A simple and effective technique to
                                  variationally interpret the structure of
                                  SUSY partners of mirror image potentials 954--975
              K. J. Oyewumi and   
            O. J. Oluwadare and   
                  K. D. Sen and   
                 O. A. Babalola   Bound state solutions of the Deng--Fan
                                  molecular potential with the
                                  Pekeris-type approximation using the
                                  Nikiforov--Uvarov (N-U) method . . . . . 976--991
                   G. Hariharan   The homotopy analysis method applied to
                                  the Kolmogorov--Petrovskii--Piskunov
                                  (KPP) and fractional KPP equations . . . 992--1000
         Ngamta Thamwattana and   
             Thien Tran-Duc and   
              Duangkamon Baowan   Modelling interactions between a PBB and
                                  fullerenes . . . . . . . . . . . . . . . 1001--1022
                Paolo Amore and   
  Francisco M. Fernández   Particle correlation from uncorrelated
                                  non Born--Oppenheimer SCF wavefunctions  1023--1035
            Ricardo D. Letelier   On the variational solution of morphed
                                  molecular potential in a diatomic
                                  molecule . . . . . . . . . . . . . . . . 1036--1042
           Alexandru T. Balaban   Diamond hydrocarbons revisited:
                                  partitioned formula tables of
                                  diamondoids  . . . . . . . . . . . . . . 1043--1055
                   J. H. Merkin   A boundary-driven reaction front . . . . 1056--1075
              Zhenzhen Chen and   
                  Tonghua Zhang   Dynamics of a stochastic model for
                                  continuous flow bioreactor with Contois
                                  growth rate  . . . . . . . . . . . . . . 1076--1091
       Ramon Carbó-Dorca   Enfolded conformational spaces:
                                  definition of the chemical quantum
                                  mechanical multiverse under
                                  Born--Oppenheimer approximation  . . . . 1092--1098
         Josep Maria Bofill and   
                 Wolfgang Quapp   Analysis of the Valley--Ridge inflection
                                  points through the partitioning
                                  technique of the Hessian eigenvalue
                                  equation . . . . . . . . . . . . . . . . 1099--1115
                  G. Milani and   
                      F. Milani   Differential model accounting for
                                  reversion for EPDM vulcanized with
                                  peroxides  . . . . . . . . . . . . . . . 1116--1133

Journal of Mathematical Chemistry
Volume 51, Number 4, April, 2013

                 J. Vigo-Aguiar   Mathematical modeling for
                                  chemistry-related applications . . . . . 1135--1138
            M. A. Rey-Ronco and   
   T. Alonso-Sánchez and   
 J. Coppen-Rodríguez and   
     M. P. Castro-García   A thermal model and experimental
                                  procedure for a point-source approach to
                                  determining the thermal properties of
                                  drill cuttings . . . . . . . . . . . . . 1139--1152
                  P. Alonso and   
            F. Argüeso and   
                 R. Cortina and   
                 J. Ranilla and   
                    A. M. Vidal   Non-linear parallel solver for detecting
                                  point sources in CMB maps using Bayesian
                                  techniques . . . . . . . . . . . . . . . 1153--1163
     Miguel A. López and   
         Raquel Martínez   A note on the generalized Rayleigh
                                  equation: limit cycles and stability . . 1164--1169
                 Metin Demiralp   A probabilistic evolution approach
                                  trilogy, part 1: quantum expectation
                                  value evolutions, block triangularity
                                  and conicality, truncation approximants
                                  and their convergence  . . . . . . . . . 1170--1186
             Metin Demiralp and   
                  N. A. Baykara   A probabilistic evolution approach
                                  trilogy, part 2: spectral issues for
                                  block triangular evolution matrix,
                                  singularities, space extension . . . . . 1187--1197
             Metin Demiralp and   
                    Burcu Tunga   A probabilistic evolution approach
                                  trilogy, part 3: temporal variation of
                                  state variable expectation values from
                                  Liouville equation perspective . . . . . 1198--1210

Journal of Mathematical Chemistry
Volume 51, Number 5, May, 2013

           Forrest H. Kaatz and   
               Adhemar Bultheel   Statistical properties of carbon
                                  nanostructures . . . . . . . . . . . . . 1211--1220
           Forrest H. Kaatz and   
               Adhemar Bultheel   Power law statistics of rippled graphene
                                  nanoflakes . . . . . . . . . . . . . . . 1221--1230
               Qinglai Dong and   
                 Wanbiao Ma and   
                   Mingjuan Sun   The asymptotic behavior of a Chemostat
                                  model with Crowley--Martin type
                                  functional response and time delays  . . 1231--1248
       Mazvydas Mackevicius and   
        Feliksas Ivanauskas and   
            Aivaras Kareiva and   
            Irma Bogdanoviciene   Computer modeling of synthesis of
                                  calcium hydroxyapatite (CHAp)  . . . . . 1249--1257
                   Yue Chan and   
                  James M. Hill   Ion selectivity using membranes
                                  comprising functionalized carbon
                                  nanotubes  . . . . . . . . . . . . . . . 1258--1273
               Qinglai Dong and   
                     Wanbiao Ma   Qualitative analysis of the chemostat
                                  model with variable yield and a time
                                  delay  . . . . . . . . . . . . . . . . . 1274--1292
                Wenliang Li and   
                       Keli Han   A comparison of efficiency and accuracy
                                  of two-electron integrals calculation
                                  between two methods in
                                  multi-configuration time-dependent
                                  Hartree--Fock frame  . . . . . . . . . . 1293--1299
               Guido Dell'Acqua   Leading order asymptotics in the
                                  Goldbeter--Koshland switch . . . . . . . 1300--1309
                  Shuya Liu and   
                   Heping Zhang   The HOMFLY polynomials of odd polyhedral
                                  links  . . . . . . . . . . . . . . . . . 1310--1328
                 Kecai Deng and   
               Jianguo Qian and   
                     Fuji Zhang   Enumerating DNA polyhedral links . . . . 1329--1342
             Hyung Ju Hwang and   
    Juan J. L. Velázquez   Bistable stochastic biochemical
                                  networks: highly specific systems with
                                  few chemicals  . . . . . . . . . . . . . 1343--1375
               A. V. Meremianin   Eckart frame Hamiltonians in the
                                  three-body problem . . . . . . . . . . . 1376--1387
         Dariusz Szczepanik and   
                  Janusz Mrozek   Stationarity of electron distribution in
                                  ground-state molecular systems . . . . . 1388--1396
       Ramon Carbó-Dorca   Variational principle, Hohenberg--Kohn
                                  theorem, and density function origin
                                  shifts . . . . . . . . . . . . . . . . . 1397--1409
                  Risong Li and   
             Xiaoliang Zhou and   
                    Yu Zhao and   
                   Cunyou Huang   A note on the principal measure and
                                  distributional $ ({\vec {p, q}})$-chaos
                                  of a coupled lattice system related with
                                  Belusov--Zhabotinskii reaction . . . . . 1410--1417
           Ibraheem Alolyan and   
                    T. E. Simos   A new four-step Runge--Kutta type method
                                  with vanished phase-lag and its first,
                                  second and third derivatives for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1418--1445
                        D. Nath   Information theoretic spreading measures
                                  of orthogonal functions  . . . . . . . . 1446--1461
                  A. Akbari and   
                C. Amovilli and   
                N. H. March and   
                       A. Rubio   Explicit form of Pauli potential for
                                  direct derivation of pair density from a
                                  two-particle differential equation for
                                  the quintet state of four electrons with
                                  harmonic interparticle interactions  . . 1462--1466
           Sharmistha Dhatt and   
            Kamal Bhattacharyya   Single-substrate enzyme kinetics: the
                                  quasi-steady-state approximation and
                                  beyond . . . . . . . . . . . . . . . . . 1467--1477

Journal of Mathematical Chemistry
Volume 51, Number 6, June, 2013

            C. G. Jesudason and   
                 A. J. P. Agung   Reflections on the conformation,
                                  topology and thermodynamics of a
                                  polyelectrolyte chain in the presence of
                                  counterions with plausible applications  1479--1514
              M. L. Glasser and   
                N. H. March and   
                    L. M. Nieto   Weak harmonic confinement of the quintet
                                  solution of a Moshinsky atom with $4$
                                  electrons  . . . . . . . . . . . . . . . 1515--1520
                    Wenliang Li   Solving for the time-dependent
                                  multi-configuration Hartree--Fock
                                  equations based on sine-discrete
                                  variable representation  . . . . . . . . 1521--1531
              Adnan Aydemir and   
         Necmettin Yildirim and   
             Bernd Hitzmann and   
                 Thomas Scheper   A new mathematical model for the
                                  enzymatic kinetic resolution of
                                  racemates  . . . . . . . . . . . . . . . 1532--1547
                A. Grigoriu and   
                  H. Rabitz and   
                    G. Turinici   Controllability analysis of quantum
                                  systems immersed within an engineered
                                  environment  . . . . . . . . . . . . . . 1548--1560
                  D. Geldof and   
             C. Van Alsenoy and   
                    N. H. March   The central role of the von Weizsäcker
                                  kinetic energy density in determining
                                  the energy functional of a model
                                  two-electron atom with harmonic
                                  confinement and inverse square
                                  interparticle repulsion  . . . . . . . . 1561--1568
       Ramon Carbó-Dorca   Particle coordinates and discrete
                                  molecular description: a geometric point
                                  of view on a twofold dimensionality
                                  environment  . . . . . . . . . . . . . . 1569--1583
           G. S. L. Andreis and   
                  F. A. Vaz and   
               A. L. De Bortoli   Bioethanol combustion based on a reduced
                                  kinetic mechanism  . . . . . . . . . . . 1584--1598
              Tomislav Dosli\'c   Planar polycyclic graphs and their Tutte
                                  polynomials  . . . . . . . . . . . . . . 1599--1607
                D. J. Klein and   
                   C. E. Larson   Eigenvalues of saturated hydrocarbons    1608--1618
         Dariusz Szczepanik and   
                  Janusz Mrozek   On quadratic bond-order decomposition
                                  within molecular orbital space . . . . . 1619--1633
J. L. González-Hernández and   
              M. Mar Canedo and   
               Sonsoles Encinar   Combining artificial neural networks and
                                  experimental design to prediction of
                                  kinetic rate constants . . . . . . . . . 1634--1653
              V. Skakauskas and   
                   P. Katauskis   Product desorption rate influence on
                                  catalytic reactivity of spatially
                                  inhomogeneous surfaces . . . . . . . . . 1654--1669
                Ekin Ugurlu and   
                 Elgiz Bairamov   Dissipative operators with impulsive
                                  conditions . . . . . . . . . . . . . . . 1670--1680

Journal of Mathematical Chemistry
Volume 51, Number 7, August, 2013

       Ramon Carbó-Dorca   On density function coordinate matrix    1681--1683
             A. P. Toropova and   
              A. A. Toropov and   
               E. Benfenati and   
                    G. Gini and   
             D. Leszczynska and   
                 J. Leszczynski   CORAL: QSPRs of enthalpies of formation
                                  of organometallic compounds  . . . . . . 1684--1693
                N. H. March and   
                    Z. D. Zhang   Theory and phenomenology for a variety
                                  of classical and quantum phase
                                  transitions  . . . . . . . . . . . . . . 1694--1711
                  Risong Li and   
                   Fu Huang and   
                    Yu Zhao and   
             Zengxiong Chen and   
                   Cunyou Huang   The principal measure and distributional
                                  $ (p, q)$-chaos of a coupled lattice
                                  system with coupling constant $
                                  \varepsilon = 1$ related with
                                  Belusov--Zhabotinskii reaction . . . . . 1712--1719
               Jian-Jun Shu and   
                  Kian Yan Yong   Identifying DNA motifs based on match
                                  and mismatch alignment information . . . 1720--1728
         M. Patrício and   
               J. L. Santos and   
         F. Patrício and   
              A. J. C. Varandas   Roadmap to spline-fitting potentials in
                                  high dimensions  . . . . . . . . . . . . 1729--1746
               Zhenning Cai and   
                  Yuwei Fan and   
                     Ruo Li and   
                    Tiao Lu and   
                      Wenqi Yao   Quantum hydrodynamic model of density
                                  functional theory  . . . . . . . . . . . 1747--1771
        Emili Besalú and   
       Ramon Carbó-Dorca   Completely soft molecular electrostatic
                                  potentials (CoSMEP) and total density
                                  functions  . . . . . . . . . . . . . . . 1772--1783
             Süha Tuna and   
                    Burcu Tunga   A novel piecewise multivariate function
                                  approximation method via universal
                                  matrix representation  . . . . . . . . . 1784--1801
   Antônio Francisco Neto   Matula numbers, Gödel numbering and Fock
                                  space  . . . . . . . . . . . . . . . . . 1802--1814
 A. Merwyn Jasper D. Reuben and   
            Dinesh Varshney and   
                   K. Jayakumar   The possibility of semiconductor-metal
                                  transition in a spherical quantum dot    1815--1821
                    P. Miskinis   An example of a two-stage chemical
                                  reaction whose kinetics may be found in
                                  an analytical form . . . . . . . . . . . 1822--1834
  Alejandro Morales-Bayuelo and   
            Ricardo Vivas-Reyes   Theoretical model for the polarization
                                  molecular and Hückel treatment of
                                  phosphocyclopentadiene in an external
                                  electric field: Hirschfeld study . . . . 1835--1852
               Erica Flapan and   
                  Will Fletcher   Intrinsic chirality of multipartite
                                  graphs . . . . . . . . . . . . . . . . . 1853--1863
        J. Carrero-Mantilla and   
          S. Duque-Tobón   Efficient stochastic simulation of
                                  simultaneous reaction and diffusion in a
                                  gas-liquid interface . . . . . . . . . . 1864--1880
                       J. Sesma   Exact solution of the Schrödinger
                                  equation with a Lennard-Jones potential  1881--1896
                    A. Thilagam   Crossover from bosonic to fermionic
                                  features in composite boson systems  . . 1897--1913
           G. A. Panopoulos and   
                    T. E. Simos   A new optimized symmetric $8$-step
                                  semi-embedded predictor-corrector method
                                  for the numerical solution of the radial
                                  Schrödinger equation and related orbital
                                  problems . . . . . . . . . . . . . . . . 1914--1937
               Neetik Mukherjee   A simple and effective technique to
                                  locate quasi-degeneracy in a symmetric
                                  double well potential  . . . . . . . . . 1938--1944
           Chang Hyeong Lee and   
             Kyung Duk Park and   
                   Bongsoo Jang   Multistage homotopy perturbation method
                                  for nonlinear reaction networks  . . . . 1945--1960

Journal of Mathematical Chemistry
Volume 51, Number 8, September, 2013

José Félix Gómez-Reyes and   
          Armando Ariza-Castolo   Aliasing functions and a dynamic
                                  approach to optimizing spectral widths
                                  in $2$D experiments  . . . . . . . . . . 1961--1980
             Jack E. Graver and   
       Elizabeth J. Hartung and   
                 Ahmed Y. Souid   Clar and Fries numbers for benzenoids    1981--1989
             Juan M. Romero and   
 O. González-Gaxiola and   
               R. Bernal-Jaquez   Non-Hermitian Hydrogen atom  . . . . . . 1990--2000
                   Ping Liu and   
                Junping Shi and   
                 Yuwen Wang and   
                   Xiuhong Feng   Bifurcation analysis of
                                  reaction-diffusion Schnakenberg model    2001--2019
          Hakim Al Garalleh and   
         Ngamta Thamwattana and   
               Barry J. Cox and   
                  James M. Hill   Modelling interaction between ammonia
                                  and nitric oxide molecules and
                                  aquaporins . . . . . . . . . . . . . . . 2020--2032
                      G. Milani   Closed form analytical approach for a
                                  second order non-linear ODE interpreting
                                  EPDM vulcanization with peroxides  . . . 2033--2061
                M. G. Marmorino   Comparison and union of the Temple and
                                  Bazley lower bounds  . . . . . . . . . . 2062--2073
             Hyung Ju Hwang and   
    Juan J. L. Velázquez   Bistable stochastic biochemical
                                  networks: large chemical networks and
                                  systems with many molecules  . . . . . . 2074--2103
                M. L. Strekalov   Relaxation of vibrational nonequilibrium
                                  distributions: the effect of multiphoton
                                  excitation on relaxation behavior  . . . 2104--2119
          Cataldo De Blasio and   
           Claudio Carletti and   
           Tapio Westerlund and   
             Mika Järvinen   On modeling the dissolution of
                                  sedimentary rocks in acidic
                                  environments. An overview of selected
                                  mathematical methods with presentation
                                  of a case study  . . . . . . . . . . . . 2120--2143
               S. Anbumalar and   
        R. Ananda Natarajan and   
                  P. Rameshbabu   An algorithm for overlapped chromatogram
                                  separation . . . . . . . . . . . . . . . 2144--2164
             Chun-Sheng Jia and   
                   Tao Chen and   
             Liang-Zhong Yi and   
                   Shu-Rong Lin   Equivalence of the deformed Rosen--Morse
                                  potential energy model and Tietz
                                  potential energy model . . . . . . . . . 2165--2172
                  Risong Li and   
                   Fu Huang and   
                        Yu Zhao   A note on Li--Yorke chaos in a coupled
                                  lattice system related with
                                  Belusov--Zhabotinskii reaction . . . . . 2173--2178
               D. N. Petrov and   
                  B. M. Angelov   Free ions Pr IV ($ 4 f^2$) and Tm IV ($
                                  4 f^{12}$): intermediate versus LS
                                  coupling scheme  . . . . . . . . . . . . 2179--2186
                 Gyula Tasi and   
László Nagy-Gyevi and   
Roland Tóbiás and   
           Tamás S. Tasi   Vector algebra and molecular symmetry: a
                                  tribute to Professor Josiah Willard
                                  Gibbs  . . . . . . . . . . . . . . . . . 2187--2195
                 Esra Kir Arpat   An eigenfunction expansion of the
                                  non-selfadjoint Sturm--Liouville
                                  operator with a singular potential . . . 2196--2213
                    S. Saha Ray   Soliton solutions for time fractional
                                  coupled modified KdV equations using new
                                  coupled fractional reduced differential
                                  transform method . . . . . . . . . . . . 2214--2229
           Alla P. Toropova and   
          Andrey A. Toropov and   
               Tomasz Puzyn and   
           Emilio Benfenati and   
         Danuta Leszczynska and   
              Jerzy Leszczynski   Optimal descriptor as a translator of
                                  eclectic information into the prediction
                                  of thermal conductivity of
                                  micro-electro-mechanical systems . . . . 2230--2237
          Vladimir R. Perovi\'c   Novel algorithm for phylogenetic
                                  analysis of proteins: application to
                                  analysis of the evolution of H5N1
                                  influenza viruses  . . . . . . . . . . . 2238--2255
            C. G. Jesudason and   
                 A. A. J. Agung   Erratum to: Reflections on the
                                  conformation, topology and
                                  thermodynamics of a polyelectrolyte
                                  chain in the presence of counterions
                                  with plausible applications  . . . . . . 2256--2256

Journal of Mathematical Chemistry
Volume 51, Number 9, October, 2013

                        D. Vogt   A simplified perturbation solution of
                                  Michaelis--Menten kinetics equations in
                                  a ``total'' framework  . . . . . . . . . 2257--2263
                 Enrico Benassi   Application of Redfield--Pólya's Theorem
                                  to the enumeration of the substitution
                                  isomers of linear polycyclic aromatic
                                  hydrocarbons . . . . . . . . . . . . . . 2264--2270
               Denis Michel and   
                Philippe Ruelle   Seven competing ways to recover the
                                  Michaelis--Menten equation reveal the
                                  alternative approaches to steady state
                                  modeling . . . . . . . . . . . . . . . . 2271--2284
                    Andrzej Wal   Energy bands for finite two-dimensional
                                  systems in a quantised magnetic field:
                                  the symmetry of the model  . . . . . . . 2285--2316
          Hakim Al Garalleh and   
         Ngamta Thamwattana and   
               Barry J. Cox and   
                  James M. Hill   Modelling carbon dioxide molecule
                                  interacting with aquaglyceroporin and
                                  aquaporin-1 channels . . . . . . . . . . 2317--2327
    Watcharakorn Thongchuay and   
              Puntip Toghaw and   
               Montri Maleewong   Multilevel augmentation method with
                                  wavelet bases for singularly perturbed
                                  problem  . . . . . . . . . . . . . . . . 2328--2339
              ZaiTang Huang and   
                   ChunTao Chen   Random attractions and bifurcation for
                                  the classical Rayleigh--van der Pol
                                  equations with small noise . . . . . . . 2340--2353
    Ottilia Fülöp and   
     Béla Barabás   Three-dimensional chiral objects and
                                  their star graph representations . . . . 2354--2360
             M. Mahalakshmi and   
               G. Hariharan and   
                      K. Kannan   The wavelet methods to linear and
                                  nonlinear reaction-diffusion model
                                  arising in mathematical chemistry  . . . 2361--2385
               G. Hariharan and   
                   R. Rajaraman   A new coupled wavelet-based method
                                  applied to the nonlinear
                                  reaction-diffusion equation arising in
                                  mathematical chemistry . . . . . . . . . 2386--2400
                Shodhan Rao and   
       Arjan van der Schaft and   
              Bayu Jayawardhana   A graph-theoretical approach for the
                                  analysis and model reduction of
                                  complex-balanced chemical reaction
                                  networks . . . . . . . . . . . . . . . . 2401--2422
            Rakhee Kuperkar and   
                    D. M. Patel   Surfactant induced one dimensional
                                  unsaturated flow through porous media: a
                                  classical mathematical approach  . . . . 2423--2431
               G. Hariharan and   
                   R. Rajaraman   Two reliable wavelet methods to
                                  Fitzhugh--Nagumo (FN) and fractional FN
                                  equations  . . . . . . . . . . . . . . . 2432--2454
            Balázs Boros   On the dependence of the existence of
                                  the positive steady states on the rate
                                  coefficients for deficiency-one mass
                                  action systems: single linkage class . . 2455--2490
           Tadas Meskauskas and   
        Feliksas Ivanauskas and   
           Valdas Laurinavicius   Degradation of substrate and/or product:
                                  mathematical modeling of biosensor
                                  action . . . . . . . . . . . . . . . . . 2491--2502
              Yao-Lin Jiang and   
                    Ji-Teng Jia   On the determinant evaluation of quasi
                                  penta-diagonal matrices and quasi
                                  penta-diagonal Toeplitz matrices . . . . 2503--2513
      Alexander I. Nesterov and   
          Gennady P. Berman and   
José Manuel Sánchez Martínez and   
               Richard T. Sayre   Noise-assisted quantum electron transfer
                                  in photosynthetic complexes  . . . . . . 2514--2541
           Ibraheem Alolyan and   
                    T. E. Simos   A new four-step hybrid type method with
                                  vanished phase-lag and its first
                                  derivatives for each level for the
                                  approximate integration of the
                                  Schrödinger equation  . . . . . . . . . . 2542--2571
            Dzevad Belki\'c and   
                 Karen Belki\'c   Mechanistic description of survival of
                                  irradiated cells: repair kinetics in Padé
                                  linear-quadratic or differential
                                  Michaelis--Menten model  . . . . . . . . 2572--2607
            Dzevad Belki\'c and   
                 Karen Belki\'c   Resolution enhancement as a key step
                                  towards clinical implementation of
                                  Padé-optimized magnetic resonance
                                  spectroscopy for diagnostic oncology . . 2608--2637

Journal of Mathematical Chemistry
Volume 51, Number 10, November, 2013

          Vladimir R. Rosenfeld   Another form of the transmission
                                  function . . . . . . . . . . . . . . . . 2639--2643
          Vladimir R. Rosenfeld   Selfcomplementary, selfreverse cyclic
                                  nucleotide sequences codonically
                                  invariant under frame shifting . . . . . 2644--2653
             M. Alper Tunga and   
                 Metin Demiralp   A novel method for multivariate data
                                  modelling: Piecewise Generalized EMPR    2654--2667
                      Bo Li and   
                      Banghe Li   Quasi-Steady-State Laws in reversible
                                  model of enzyme kinetics . . . . . . . . 2668--2686
         Dariusz Szczepanik and   
                  Janusz Mrozek   Minimal set of molecule-adapted atomic
                                  orbitals from maximum overlap criterion  2687--2698
                  B. A. Mamedov   Analytical evaluation of the
                                  Marcus--Hush--Chidsey function using
                                  binomial expansion theorem and Error
                                  functions  . . . . . . . . . . . . . . . 2699--2703
            Priti Kumar Roy and   
                Sumit Nandi and   
             Mithun Kumar Ghosh   Modeling of a control induced system for
                                  product formation in enzyme kinetics . . 2704--2717
       Chandan Raychaudhury and   
                    Debnath Pal   Information content of molecular graph
                                  and prediction of gas phase thermal
                                  entropy of organic compounds . . . . . . 2718--2730
           Kinshuk Banerjee and   
            Gautam Gangopadhyay   Realization of vibronic entanglement in
                                  terms of tunneling current in an
                                  artificial molecule  . . . . . . . . . . 2731--2745
        Nikolay A. Tikhonov and   
             Gleb B. Sidelnikov   Quantitative analysis of physical
                                  factors that determine the behavior of
                                  activity coefficients of electrolytes    2746--2756


Journal of Mathematical Chemistry
Volume 52, Number 1, January, 2014

               Jerzy Cioslowski   Note on the asymptotic isomer count of
                                  large fullerenes . . . . . . . . . . . . 1--5
        Beata Sta\'skiewicz and   
          Wojciech Okrasi\'nski   On approximate mathematical modeling of
                                  the vapor--liquid coexistence curves by
                                  the van der Waals equation of state and
                                  non-classical value of the critical
                                  exponent . . . . . . . . . . . . . . . . 6--22
           Xiao-Sheng Cheng and   
                 Yujuan Lei and   
                   Weiling Yang   The Homfly polynomial of double
                                  crossover links  . . . . . . . . . . . . 23--41
            Roman F. Nalewajski   Communications in molecules: local and
                                  multi-configuration channels and their
                                  entropic descriptors of bond
                                  multiplicity and composition . . . . . . 42--71
            Roman F. Nalewajski   On phases and interference of local
                                  communications in molecules  . . . . . . 72--92
                 Ilona Nagy and   
       János Tóth   Quadratic first integrals of kinetic
                                  differential equations . . . . . . . . . 93--114
         Eva-Henrietta Dulf and   
        Cristina I. Muresan and   
           Mihaela L. Unguresan   Modeling the ($^{15}$N) isotope
                                  separation column  . . . . . . . . . . . 115--131
                  Piotr Waz and   
     Dorota Bieli\'nska-Waz and   
                   Ashesh Nandy   Descriptors of $2$D-dynamic graphs as a
                                  classification tool of DNA sequences . . 132--140
           Hernando Quevedo and   
                   Diego Tapias   Geometric description of chemical
                                  reactions  . . . . . . . . . . . . . . . 141--161
            Damian Mikulski and   
              Marcin Molski and   
             Jerzy Konarski and   
                 Krzysztof Eder   The construction of ladder operators and
                                  coherent states for the Wei Hua
                                  anharmonic oscillator using the
                                  supersymmetric quantum mechanics . . . . 162--173
  Francisco M. Fernández   Perturbation theory for confined systems 174--177
                 Reza Zahed and   
                  Hesam Sharifi   A new approach to maturity of molecules
                                  by rationality of finite groups  . . . . 178--187
         Bijay K. Agarwalla and   
           Sainyam Galhotra and   
            J. K. Bhattacharjee   Diffusion driven instability to a drift
                                  driven one: Turing patterns in the
                                  presence of an electric field  . . . . . 188--197
             Milan Randi\'c and   
                       Rok Orel   Canonical labels for protein spots of
                                  proteomics maps  . . . . . . . . . . . . 198--212
         Marija P. Stani\'c and   
                    Ivan Gutman   Towards a definition of
                                  almost-equienergetic graphs  . . . . . . 213--221
           Kristina Mallory and   
           Robert A. Van Gorder   A transformed time-dependent
                                  Michaelis--Menten enzymatic reaction
                                  model and its asymptotic stability . . . 222--230
           Sharmistha Dhatt and   
            Kamal Bhattacharyya   Accurate estimates of asymptotic indices
                                  via fractional calculus  . . . . . . . . 231--239
               Yonglei Fang and   
                      Xiong You   New optimized two-derivative
                                  Runge--Kutta type methods for solving
                                  the radial Schrödinger equation . . . . . 240--254
              Randolph Rach and   
             Jun-Sheng Duan and   
             Abdul-Majid Wazwaz   Solving coupled Lane--Emden boundary
                                  value problems in catalytic diffusion
                                  reactions by the Adomian decomposition
                                  method . . . . . . . . . . . . . . . . . 255--267
          Brandy N. Morneau and   
           Jaclyn M. Kubala and   
               Carl Barratt and   
            Pauline M. Schwartz   Analysis of a chemical model system
                                  leading to chiral symmetry breaking:
                                  Implications for the evolution of
                                  homochirality  . . . . . . . . . . . . . 268--282
               J. S. Dehesa and   
                A. Guerrero and   
         J. L. López and   
       P. Sánchez-Moreno   Asymptotics ( $ p \rightarrow \infty $ )
                                  of $ L_p $-norms of hypergeometric
                                  orthogonal polynomials . . . . . . . . . 283--300
           James Emil Avery and   
              John Scales Avery   Molecular integrals for Slater type
                                  orbitals using Coulomb Sturmians . . . . 301--312
             Xuezhuang Zhao and   
                Jianxia Cui and   
                 Zucheng Li and   
             Zhenfeng Shang and   
                 Xiufang Xu and   
              Shengkai Xing and   
              Guichang Wang and   
                     Ruifang Li   Symmetries and fuzzy symmetries of
                                  Carbon nanotubes . . . . . . . . . . . . 313--354
              A. S. Padmanabhan   Growing self avoiding walk trees . . . . 355--367
       Shyamal Kumar Biring and   
               Rahul Sharma and   
               Pinaki Chaudhury   A new adaptive mutation simulated
                                  annealing algorithm: application to the
                                  study of pure and mixed Pt--Pd clusters  368--397

Journal of Mathematical Chemistry
Volume 52, Number 2, February, 2014

           Eisuke Chikayama and   
            Yasuhiro Sunaga and   
               Shigeho Noda and   
                   Hideo Yokota   Solvable model for chemical oscillations 399--406
             Ashley Donovan and   
           Vincent Beltrani and   
                Herschel Rabitz   Local topology at limited resource
                                  induced suboptimal traps on the quantum
                                  control landscape  . . . . . . . . . . . 407--429
        Benjamin E. McNealy and   
                Joshua L. Hertz   Extended Poisson--Nernst--Planck
                                  modeling of membrane blockage via
                                  insoluble reaction products  . . . . . . 430--440
         Martina Costa Reis and   
                Yongqi Wang and   
Adalberto Bono Maurizio Sacchi Bassi   A continuum thermodynamical approach to
                                  electrochemical systems  . . . . . . . . 441--463
                  G. Milani and   
                      F. Milani   Effective closed form starting point
                                  determination for kinetic model
                                  interpreting NR vulcanized with sulphur  464--488
        Prangsai Tiangtrong and   
              Duangkamon Baowan   Encapsulation behaviours of
                                  nanoparticles entering two-section
                                  carbon nanotubes . . . . . . . . . . . . 489--503
                Kim Johannessen   The exact solution to the
                                  one-dimensional Poisson--Boltzmann
                                  equation with asymmetric boundary
                                  conditions . . . . . . . . . . . . . . . 504--507
                Shinsaku Fujita   Symmetry-itemized enumeration of
                                  quadruplets of RS-stereoisomers: I ---
                                  The fixed-point matrix method of the
                                  USCI approach combined with the
                                  stereoisogram approach . . . . . . . . . 508--542
                Shinsaku Fujita   Symmetry-itemized enumeration of
                                  quadruplets of RS-stereoisomers. II. The
                                  partial-cycle-index method of the USCI
                                  approach combined with the stereoisogram
                                  approach . . . . . . . . . . . . . . . . 543--574
              Jakob Wallner and   
    Manfred Kühleitner and   
            Norbert Brunner and   
             Gabriele Lhota and   
             Karola Vorauer-Uhl   Application of the log-normal model for
                                  long term high affinity antibody/antigen
                                  interactions using Bio-Layer
                                  Interferometry . . . . . . . . . . . . . 575--587
            Roman F. Nalewajski   On phase-equilibria in molecules . . . . 588--612
             Abdul-Majid Wazwaz   The variational iteration method for
                                  solving the Volterra
                                  integro-differential forms of the
                                  Lane--Emden equations of the first and
                                  the second kind  . . . . . . . . . . . . 613--626
          A. S. Padmanabhan and   
                  Susamma Jacob   Self avoiding walk trees and laces . . . 627--645
          Daniela V. Coelho and   
     João Brandão   Building symmetric polynomials to fit a
                                  potential energy surface: application to
                                  an A$_2$B$_2$ molecule . . . . . . . . . 646--653
             Wolfgang Quapp and   
             Josep Maria Bofill   Level sets as progressing waves: an
                                  example for wake-free waves in every
                                  dimension  . . . . . . . . . . . . . . . 654--664
     Johannes W. R. Martini and   
             Michael Habeck and   
               Martin Schlather   A derivation of the Grand Canonical
                                  Partition Function for systems with a
                                  finite number of binding sites using a
                                  Markov chain model for the dynamics of
                                  single molecules . . . . . . . . . . . . 665--674
         Jonathan J. Crofts and   
                Ernesto Estrada   A statistical mechanics description of
                                  environmental variability in metabolic
                                  networks . . . . . . . . . . . . . . . . 675--688
        Feliksas Ivanauskas and   
           Pranas Katauskis and   
           Valdas Laurinavicius   Mathematical modeling of biosensor
                                  action in the region between diffusion
                                  and kinetic modes  . . . . . . . . . . . 689--702
       Krishnan Balasubramanian   Generalization of the Harary--Palmer
                                  power group theorem to all irreducible
                                  representations of object and color
                                  groups --- color combinatorial group
                                  theory . . . . . . . . . . . . . . . . . 703--728
               Boris Horvat and   
              Gasper Jaklic and   
              Iztok Kavkler and   
                 Milan Randi\'c   Rank of Hadamard powers of Euclidean
                                  distance matrices  . . . . . . . . . . . 729--740
               Kinshuk Banerjee   A model of cooperativity based on
                                  restricted binding: kinetic and
                                  thermodynamic analysis . . . . . . . . . 741--753
              Zaitang Huang and   
                 Junfei Cao and   
                     Ting Jiang   Dynamics of stochastic Lorenz family of
                                  chaotic systems with jump  . . . . . . . 754--774

Journal of Mathematical Chemistry
Volume 52, Number 3, March, 2014

                      Risong Li   Comment on ``A note on the principal
                                  measure and distributional $ (p,
                                  q)$-chaos of a coupled lattice system
                                  related with Belusov--Zhabotinskii
                                  reaction'' . . . . . . . . . . . . . . . 775--780
         Alexander Bujotzek and   
            Ole Schütt and   
               Adam Nielsen and   
       Konstantin Fackeldey and   
                   Marcus Weber   ZIBgridfree: efficient conformational
                                  analysis by partition-of-unity coupling  781--804
            Michael Schutte and   
                Matthias Dehmer   Large-scale analysis of structural
                                  branching measures . . . . . . . . . . . 805--819
           Kinshuk Banerjee and   
            Kamal Bhattacharyya   Entropy production as a universal
                                  functional of reaction rate: chemical
                                  networks close to steady states  . . . . 820--832
                    T. E. Simos   An explicit four-step method with
                                  vanished phase-lag and its first and
                                  second derivatives . . . . . . . . . . . 833--855
               Metrose Metsidik   Semi-Cartesian product of graphs . . . . 856--865
Cosar Gözükirmizi and   
                 Metin Demiralp   Probabilistic evolution approach for the
                                  solution of explicit autonomous ordinary
                                  differential equations. Part 1:
                                  Arbitrariness and equipartition theorem
                                  in Kronecker power series  . . . . . . . 866--880
Cosar Gözükirmizi and   
                 Metin Demiralp   Probabilistic evolution approach for the
                                  solution of explicit autonomous ordinary
                                  differential equations. Part 2: Kernel
                                  separability, space extension, and,
                                  series solution via telescopic matrices  881--898
              Mustafa Demirplak   Uniqueness of equilibrium in the Haber
                                  synthesis of ammonia . . . . . . . . . . 899--916
           Ibraheem Alolyan and   
                    T. E. Simos   A Runge--Kutta type four-step method
                                  with vanished phase-lag and its first
                                  and second derivatives for each level
                                  for the numerical integration of the
                                  Schrödinger equation  . . . . . . . . . . 917--947
                   Laszlo Tarko   The effect of the diversity of molecules
                                  in sets and similarity of sets on the
                                  quality of prediction in QSAR studies    948--965
                Toshikatsu Koga   Electron-pair shell density
                                  approximation applied to inner and outer
                                  densities of atoms . . . . . . . . . . . 966--976
             Jack E. Graver and   
           Elizabeth J. Hartung   Kekuléan benzenoids . . . . . . . . . . . 977--989
           Elizabeth J. Hartung   Clar chains and a counterexample . . . . 990--1006
                Keith B. Oldham   The propagation of radiation through a
                                  medium containing a component that
                                  absorbs the radiation and is steadily
                                  destroyed by it  . . . . . . . . . . . . 1007--1019

Journal of Mathematical Chemistry
Volume 52, Number 4, April, 2014

                 J. Vigo-Aguiar   Applied differential equations and
                                  related computational mathematics in
                                  chemistry  . . . . . . . . . . . . . . . 1021--1022
            B. Cantó and   
                    C. Coll and   
          E. Sánchez and   
              S. C. Cardona and   
           J. Navarro-Laboulais   On identifiability for chemical systems
                                  from measurable variables  . . . . . . . 1023--1035
            L. Bayón and   
                 J. M. Grau and   
                 M. M. Ruiz and   
            P. M. Suárez   Optimal control of a linear unbranched
                                  chemical process with $n$ steps: the
                                  quasi-analytical solution  . . . . . . . 1036--1049
             J. Vigo-Aguiar and   
                  Higinio Ramos   A strategy for selecting the frequency
                                  in trigonometrically-fitted methods
                                  based on the minimization of the local
                                  truncation errors and the total energy
                                  error  . . . . . . . . . . . . . . . . . 1050--1058
M. Teresa de Bustos Muñoz and   
          Juan L. G. Guirao and   
       Jesús Vigo-Aguiar   Decomposition of pseudo-radioactive
                                  chemical products with a mathematical
                                  approach . . . . . . . . . . . . . . . . 1059--1065
                S. Saha Ray and   
                    A. K. Gupta   Comparative analysis of variational
                                  iteration method and Haar wavelet method
                                  for the numerical solutions of
                                  Burgers--Huxley and Huxley equations . . 1066--1080
                 Shiwei Liu and   
                 Juan Zheng and   
                   Yonglei Fang   A new embedded $ 5 (3) $ pair of
                                  modified Runge--Kutta--Nyström methods
                                  for the numerical solution of the
                                  Schrödinger equation  . . . . . . . . . . 1081--1098
              Randhir Singh and   
             Jitendra Kumar and   
           Gnaneshwar Nelakanti   Approximate series solution of
                                  fourth-order boundary value problems
                                  using decomposition method with Green's
                                  function . . . . . . . . . . . . . . . . 1099--1118
           S. Miraboutalebi and   
                      L. Rajaei   Solutions of $N$-dimensional Schrödinger
                                  equation with Morse potential via
                                  Laplace transforms . . . . . . . . . . . 1119--1128
          Víctor Delgado   An stable approach to a kind of problems
                                  involving the inversion of a Volterra
                                  integral equation of the first kind:
                                  application to X-ray fluorescence
                                  analysis . . . . . . . . . . . . . . . . 1129--1136
            Valentino A. Simpao   Real wavefunction from Generalised
                                  Hamiltonian Schrödinger Equation in
                                  quantum phase space via HOA (Heaviside
                                  Operational Ansatz): exact analytical
                                  results  . . . . . . . . . . . . . . . . 1137--1155
                    Zhenquan Li   Accuracy analysis of a mesh refinement
                                  method using benchmarks of $2$-D
                                  lid-driven cavity flows and finer meshes 1156--1170

Journal of Mathematical Chemistry
Volume 52, Number 5, May, 2014

           Alla P. Toropova and   
          Andrey A. Toropov and   
      Valentin O. Kudyshkin and   
         Danuta Leszczynska and   
              Jerzy Leszczynski   Optimal descriptors as a tool to predict
                                  the thermal decomposition of polymers    1171--1181
       Leonor Alvarado-Soto and   
          Luis Alvarez-Thon and   
          Rodrigo Ramirez-Tagle   Aspects of spin-orbit effects in
                                  compounds containing heavy elements  . . 1182--1190
                   Ying Liu and   
         Michael G. B. Drew and   
                        Yue Liu   A mathematical approach to chemical
                                  equilibrium theory for gaseous systems
                                  --- III: $ \mathrm {Q}_p $, $ \mathrm
                                  {Q}_c $, and $ \mathrm {Q}_x $ . . . . . 1191--1200
                Dzevad Belki\'c   Survival of radiation-damaged cells via
                                  mechanism of repair by pool molecules:
                                  the Lambert function as the exact
                                  analytical solution of coupled kinetic
                                  equations  . . . . . . . . . . . . . . . 1201--1252
                Dzevad Belki\'c   Repair of irradiated cells by
                                  Michaelis--Menten enzyme catalysis: the
                                  Lambert function for integrated rate
                                  equations in description of surviving
                                  fractions  . . . . . . . . . . . . . . . 1253--1291
            Roman F. Nalewajski   Quantum information descriptors and
                                  communications in molecules  . . . . . . 1292--1323
                S. A. Khuri and   
             Abdul-Majid Wazwaz   A variational approach for a class of
                                  nonlocal elliptic boundary value
                                  problems . . . . . . . . . . . . . . . . 1324--1337
        Andrey V. Shobukhov and   
              Dmitry S. Maximov   Exact steady state solutions in
                                  symmetrical Nernst--Planck--Poisson
                                  electrodiffusive models  . . . . . . . . 1338--1349
              V. Skakauskas and   
                   P. Katauskis   Spillover in monomer-monomer reactions
                                  on supported catalysts: dynamic
                                  mean-field study . . . . . . . . . . . . 1350--1363
            Damian Mikulski and   
             Krzysztof Eder and   
                 Jerzy Konarski   Approximate analytical solutions of the
                                  stationary radial Schrödinger equation
                                  with new anharmonic potentials . . . . . 1364--1371
              I. V. Toranzo and   
               J. S. Dehesa and   
       P. Sánchez-Moreno   Frequency moments, $ L_q $ norms and
                                  Rényi entropies of general hypergeometric
                                  polynomials  . . . . . . . . . . . . . . 1372--1385
         János Rudan and   
Gábor Szederkényi and   
          Katalin M. Hangos and   
       Tamás Péni   Polynomial time algorithms to determine
                                  weakly reversible realizations of
                                  chemical reaction networks . . . . . . . 1386--1404
                   Amlan K. Roy   Ro-vibrational spectroscopy of molecules
                                  represented by a Tietz--Hua oscillator
                                  potential  . . . . . . . . . . . . . . . 1405--1413
           Antti Pohjoranta and   
                   Robert Tenno   Microvia fill process model and control  1414--1440
              Tonghua Zhang and   
              Zhenzhen Chen and   
                      Maoan Han   Dynamical analysis of a stochastic model
                                  for cascaded continuous flow bioreactors 1441--1459
          Maria Emelianenko and   
             Diego Torrejon and   
         Matthew A. DeNardo and   
       Annika K. Socolofsky and   
        Alexander D. Ryabov and   
            Terrence J. Collins   Estimation of rate constants in
                                  nonlinear reactions involving chemical
                                  inactivation of oxidation catalysts  . . 1460--1476
                  Ying Yang and   
                 Yanan Zhao and   
                   Daqing Jiang   The dynamics of the stochastic
                                  multi-molecule biochemical reaction
                                  model  . . . . . . . . . . . . . . . . . 1477--1495

Journal of Mathematical Chemistry
Volume 52, Number 6, June, 2014

           Jose A. C. Bispo and   
        Carlos F. S. Bonafe and   
 Marília L. C. Silva and   
          Ivo H. P. Andrade and   
         Giovani B. M. Carvalho   Applying structural transition theory to
                                  describe enzyme kinetics in
                                  heterogeneous systems  . . . . . . . . . 1497--1513
                Shinsaku Fujita   Three aspects of an absolute
                                  configuration on the basis of the
                                  stereoisogram approach and revised
                                  terminology on related stereochemical
                                  concepts . . . . . . . . . . . . . . . . 1514--1534
                 Ram Jiwari and   
                    Jinyun Yuan   A computational modeling of two
                                  dimensional reaction-diffusion
                                  Brusselator system arising in chemical
                                  processes  . . . . . . . . . . . . . . . 1535--1551
            Damian Mikulski and   
             Krzysztof Eder and   
                 Jerzy Konarski   The supersymmetric quantum mechanics
                                  theory and Darboux transformation for
                                  the Morse oscillator with an approximate
                                  rotational term  . . . . . . . . . . . . 1552--1562
           Forrest H. Kaatz and   
               Adhemar Bultheel   Informational thermodynamic model for
                                  nanostructures . . . . . . . . . . . . . 1563--1575
  Francisco M. Fernández   Bound states of a charged particle in
                                  the field of an electric quadrupole in
                                  two dimensions . . . . . . . . . . . . . 1576--1580
                 Kecai Deng and   
                   Jianguo Qian   Enumerating stereo-isomers of tree-like
                                  polyinositols  . . . . . . . . . . . . . 1581--1598
              Timothy B. Boykin   Effective interactions and block
                                  diagonalization in quantum-mechanical
                                  problems . . . . . . . . . . . . . . . . 1599--1609
            Damian Mikulski and   
             Krzysztof Eder and   
                  Marcin Molski   The algebraic approach for the
                                  derivation of ladder operators and
                                  coherent states for the Goldman and
                                  Krivchenkov oscillator by the use of
                                  supersymmetric quantum mechanics . . . . 1610--1623
                 Karl Wirth and   
       André S. Dreiding   Relations between edge lengths, dihedral
                                  and solid angles in tetrahedra . . . . . 1624--1638

Journal of Mathematical Chemistry
Volume 52, Number 7, August, 2014

            Kamal Bhattacharyya   Restrictions on second order response
                                  properties of quantum states . . . . . . 1639--1646
   Francisco Garcia-Sevilla and   
      Manuela Garcia-Moreno and   
             Maria D. Masia and   
Ricardo Gomez-Ladron de Guevara and   
     Maria M. Garcia-Molina and   
            Enrique Arribas and   
    Milagros Molina-Alarcon and   
               Maria L. Amo and   
                    Ramon Varon   Linear compartmental systems. III.
                                  Application to enzymatic reactions . . . 1647--1674
   Francisco Garcia-Sevilla and   
      Manuela Garcia-Moreno and   
             Maria D. Masia and   
Ricardo Gomez-Ladron de Guevara and   
     Maria M. Garcia-Molina and   
            Enrique Arribas and   
    Milagros Molina-Alarcon and   
               Maria L. Amo and   
                    Ramon Varon   Linear compartmental systems. IV. A
                                  software, under MS-Windows, for
                                  obtaining the instantaneous species
                                  concentrations in enzyme systems . . . . 1675--1689
                    T. E. Simos   A new explicit hybrid four-step method
                                  with vanished phase-lag and its
                                  derivatives  . . . . . . . . . . . . . . 1690--1716
                Shinsaku Fujita   Symmetry-itemized enumeration of
                                  RS-stereoisomers of allenes. I. The
                                  fixed-point matrix method of the USCI
                                  approach combined with the stereoisogram
                                  approach . . . . . . . . . . . . . . . . 1717--1750
                Shinsaku Fujita   Symmetry-itemized enumeration of
                                  RS-stereoisomers of allenes: II-the
                                  partial-cycle-index method of the USCI
                                  approach combined with the stereoisogram
                                  approach . . . . . . . . . . . . . . . . 1751--1793
            Diego R. Alcoba and   
      Gustavo E. Massaccesi and   
       Ofelia B. Oña and   
        Juan J. Torres-Vega and   
                  Luis Lain and   
                   Alicia Torre   Symmetry-adapted formulation of the
                                  combined $G$-particle-hole hypervirial
                                  equation and Hermitian operator method   1794--1806
                 Saihua Liu and   
                Jianping Ou and   
                  Youchuang Lin   On $k$-resonance of grid graphs on the
                                  plane, torus and cylinder  . . . . . . . 1807--1816
           Kanes Sumetpipat and   
          Richard K. F. Lee and   
               Barry J. Cox and   
              James M. Hill and   
              Duangkamon Baowan   Carbon nanotori and nanotubes
                                  encapsulating carbon atomic-chains . . . 1817--1830
           Rainer Kwang-Hua Chu   Effect of activation volume on the
                                  defect-induced anomalous electronic
                                  transport in Rb$_{0.8}$Fe$_2$Se$_2$  . . 1831--1840
                 Fuliang Lu and   
                 Yajun Gong and   
                   Houchun Zhou   The spectrum and spanning trees of
                                  polyominos on the torus  . . . . . . . . 1841--1847
       Ramon Carbó-Dorca   Multimolecular polyhedra and QSPR  . . . 1848--1856
               Zeki C. Kuruoglu   Multi-variate Bateman method for
                                  two-body scattering without partial-wave
                                  decomposition  . . . . . . . . . . . . . 1857--1869
                 Ali Shokri and   
                  Hosein Saadat   Trigonometrically fitted high-order
                                  predictor-corrector method with
                                  phase-lag of order infinity for the
                                  numerical solution of radial Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1870--1894
                    T. E. Simos   An explicit linear six-step method with
                                  vanished phase-lag and its first
                                  derivative . . . . . . . . . . . . . . . 1895--1920
            Roman F. Nalewajski   Quantum information approach to
                                  electronic equilibria: molecular
                                  fragments and non-equilibrium
                                  thermodynamic description  . . . . . . . 1921--1948
   Ramon Carbó-Dorca and   
            Emili Besalú   A postulate involving quantum mechanical
                                  momentum in position space, density
                                  function expression of the kinetic
                                  energy and Heisenberg's uncertainty
                                  relation . . . . . . . . . . . . . . . . 1949--1967
                Artit Hutem and   
                 Sutee Boonchui   Evaluation of correlation functions and
                                  wave-functions of the Gaussian random
                                  potentials by numerical shooting method  1968--1977
                 Dimitar Petrov   Spin correlation in Pr IV and Tm IV free
                                  ions . . . . . . . . . . . . . . . . . . 1978--1983
                 Junfei Cao and   
              Zaitang Huang and   
                    Caibin Zeng   Weighted pseudo almost automorphic
                                  classical solutions and optimal mild
                                  solutions for fractional differential
                                  equations and application in fractional
                                  reaction-diffusion equations . . . . . . 1984--2012

Journal of Mathematical Chemistry
Volume 52, Number 8, September, 2014

         Michael J. Bucknum and   
              Eduardo A. Castro   Preservation of C hexagons in the
                                  transformation of C allotropes . . . . . 2013--2019
        Feliksas Ivanauskas and   
       Albertas Malinauskas and   
                Liana Stonkiene   Modeling of electrocatalysis at
                                  polyaniline-modified electrodes:
                                  autoacceleration of the process by the
                                  reaction product . . . . . . . . . . . . 2020--2029
              Randhir Singh and   
       Gnaneshwar Nelakanti and   
                 Jitendra Kumar   A new efficient technique for solving
                                  two-point boundary value problems for
                                  integro-differential equations . . . . . 2030--2051
                 Genyuan Li and   
                Herschel Rabitz   Analytical HDMR formulas for functions
                                  expressed as quadratic polynomials with
                                  a multivariate normal distribution . . . 2052--2073
               Liqiang Feng and   
                   Hang Liu and   
                  Xingjiang Liu   Polarized gating assisted generation of
                                  the ultrashort extreme-ultraviolet
                                  sources  . . . . . . . . . . . . . . . . 2074--2086
           Ibraheem Alolyan and   
                    T. E. Simos   A family of explicit linear six-step
                                  methods with vanished phase-lag and its
                                  first derivative . . . . . . . . . . . . 2087--2118
                  M. L. Glasser   Quantum mechanics of a simulated
                                  trihydrogen dication . . . . . . . . . . 2119--2127
  Francisco M. Fernández   The Hellmann--Feynman theorem for
                                  statistical averages . . . . . . . . . . 2128--2132
             Abdul-Majid Wazwaz   A coupled Ramani equation: multiple
                                  soliton solutions  . . . . . . . . . . . 2133--2140
                    A. Thilagam   Exciton propagation via quantum walks
                                  based on non-Hermitian coin flip
                                  operations . . . . . . . . . . . . . . . 2141--2160
             Muzaffer Ayvaz and   
                 Metin Demiralp   Probabilistic evolution approach to the
                                  expectation value dynamics of quantum
                                  mechanical operators, part I: integral
                                  representation of Kronecker power series
                                  and multivariate Hausdorff moment
                                  problems . . . . . . . . . . . . . . . . 2161--2182
                    Erwin Lalik   Chaos in oscillatory sorption of
                                  hydrogen in palladium  . . . . . . . . . 2183--2196
                  Jiangtao Peng   Sparse matrix transform based weight
                                  updating in partial least squares
                                  regression . . . . . . . . . . . . . . . 2197--2209
      Ágnes Szabados and   
          Zsuzsanna Tóth   Löwdin's bracketing function revisited    2210--2221
                Ji-Teng Jia and   
               Qiong-Xiang Kong   A symbolic algorithm for periodic
                                  tridiagonal systems of equations . . . . 2222--2233
       Ahmed Hussein Msmali and   
             Mark I. Nelson and   
             Maureen P. Edwards   Quadratic autocatalysis with non-linear
                                  decay  . . . . . . . . . . . . . . . . . 2234--2258
               Kinshuk Banerjee   On the flux-force partitioning and
                                  non-equilibrium thermodynamics near a
                                  steady state . . . . . . . . . . . . . . 2259--2270
             Tiago Palmeira and   
Mário N. Berberan-Santos   Distinctive characteristics of the decay
                                  function for phosphorescence in the
                                  presence of reabsorption . . . . . . . . 2271--2276
                S. Saha Ray and   
                    A. K. Gupta   A two-dimensional Haar wavelet approach
                                  for the numerical simulations of time
                                  and space fractional Fokker--Planck
                                  equations in modelling of anomalous
                                  diffusion systems  . . . . . . . . . . . 2277--2293
             Muzaffer Ayvaz and   
                 Metin Demiralp   Probabilistic evolution approach to the
                                  expectation value dynamics of quantum
                                  mechanical operators, part II: the use
                                  of mathematical fluctuation theory . . . 2294--2315

Journal of Mathematical Chemistry
Volume 52, Number 9, October, 2014

            Damian Mikulski and   
             Krzysztof Eder and   
                 Jerzy Konarski   Fredholm integral equation for the
                                  perturbation theory in quantum mechanics 2317--2321
  Francisco M. Fernández   On the crossing of the energy levels of
                                  a parameter-dependent quantum-mechanical
                                  Hamiltonian  . . . . . . . . . . . . . . 2322--2329
                    Ivan Gutman   Frank model with limited resources . . . 2330--2333
           Ibraheem Alolyan and   
                    T. E. Simos   A hybrid type four-step method with
                                  vanished phase-lag and its first, second
                                  and third derivatives for each level for
                                  the numerical integration of the
                                  Schrödinger equation  . . . . . . . . . . 2334--2379
               Jin-Wei Duan and   
                     Wei Li and   
                Xiao-Wei Li and   
                   Guang Hu and   
                   Wen-Yuan Qiu   Molecular design of DNA polyhedra based
                                  on genus . . . . . . . . . . . . . . . . 2380--2394
          Gustavo A. Arteca and   
            Laura Laverdure and   
                       O. Tapia   Constructing quantum mechanical models
                                  from diabatic schemes: external field
                                  modulation of effective energy barriers
                                  for bond breaking/formation processes    2395--2410
           Mikhail L. Strekalov   An exact analytical solution to the
                                  master equation for the
                                  vibration-dissociation process of Morse
                                  oscillators  . . . . . . . . . . . . . . 2411--2422
           Christina Graves and   
              Stephen J. Graves   Counting symmetric and near-symmetric
                                  fullerene patches  . . . . . . . . . . . 2423--2441
             Maria D. Masia and   
      Manuela Garcia-Moreno and   
   Francisco Garcia-Sevilla and   
            Julio Escribano and   
    Milagros Molina-Alarcon and   
          Maria L. Amo-Saus and   
            Enrique Arribas and   
                    Ramon Varon   Analysis of the fractional modification
                                  of the monocyclic enzyme cascades,
                                  defined in an alternative way involving
                                  the two forms of the modified protein    2442--2458
               Manju Sharma and   
             Aditya Kaushik and   
                    Chenglin Li   Analytic approximation to delayed
                                  convection dominated systems through
                                  transforms . . . . . . . . . . . . . . . 2459--2474

Journal of Mathematical Chemistry
Volume 52, Number 10, November, 2014

           Guido Dell'Acqua and   
          Alberto Maria Bersani   On the appropriate use of asymptotic
                                  expansions in enzyme kinetics  . . . . . 2475--2481
              Jin Hyuk Choi and   
                Hyunsoo Kim and   
          Rathinasamy Sakthivel   Exact solution of the Wick-type
                                  stochastic fractional coupled KdV
                                  equations  . . . . . . . . . . . . . . . 2482--2493
                  Ronald Li and   
       Robert A. Van Gorder and   
           Kristina Mallory and   
        Kuppalappalle Vajravelu   Solution method for the transformed
                                  time-dependent Michaelis--Menten
                                  enzymatic reaction model . . . . . . . . 2494--2506
               Shaojie Chen and   
               Xingye Zhang and   
                Zhiyang Liu and   
                        Ziyi Ge   Theoretical calculation on relationship
                                  between molecular structure and band gap
                                  of benzo[1,2-b:4,5-b']dithiophene based
                                  homopolymer  . . . . . . . . . . . . . . 2507--2519
           Jerzy Cioslowski and   
                   Joanna Albin   Electrostatic self-energies of discrete
                                  charge distributions on Jordan curves    2520--2531
                  Ying Yang and   
                   Daqing Jiang   Dynamics of the stochastic low
                                  concentration trimolecular chemical
                                  reaction model . . . . . . . . . . . . . 2532--2545
    Evrim Korkmaz Özay and   
                 Metin Demiralp   Reductive enhanced multivariance product
                                  representation for multi-way arrays  . . 2546--2558
                Jian-Fen Du and   
                   Ping Guo and   
                 Chun-Sheng Jia   D-dimensional energies for scandium
                                  monoiodide . . . . . . . . . . . . . . . 2559--2569
              Xiaoqin P. Wu and   
               Matthewos Eshete   Bautin bifurcation for the
                                  Lengyel--Epstein system  . . . . . . . . 2570--2580
               Andre Laestadius   Kohn--Sham theory in the presence of
                                  magnetic field . . . . . . . . . . . . . 2581--2595
            Alexandra Goeke and   
              Sebastian Walcher   A constructive approach to quasi-steady
                                  state reductions . . . . . . . . . . . . 2596--2626
                Ekin Ugurlu and   
                 Elgiz Bairamov   On the rate of the convergence of the
                                  characteristic values of an integral
                                  operator associated with a dissipative
                                  fourth order differential operator in
                                  lim-4 case with finite transmission
                                  conditions . . . . . . . . . . . . . . . 2627--2644
                   Amlan K. Roy   Ground and excited states of spherically
                                  symmetric potentials through an
                                  imaginary-time evolution method:
                                  application to spiked harmonic
                                  oscillators  . . . . . . . . . . . . . . 2645--2662
                Rodrick Wallace   Extending Swerdlow's hypothesis:
                                  statistical models of mitochondrial
                                  deterioration and aging  . . . . . . . . 2663--2679
            Dzevad Belki\'c and   
                 Karen Belki\'c   Padé optimization of noise-corrupted
                                  magnetic resonance spectroscopic time
                                  signals from fibroadenoma of the breast  2680--2713


Journal of Mathematical Chemistry
Volume 53, Number 1, January, 2015

            Roman F. Nalewajski   Entropic descriptors of quantum
                                  communications in molecules  . . . . . . 1--28
          Duangkamon Baowan and   
                 Volkhard Helms   Quantitative study of BSA coating silica
                                  nanoparticle . . . . . . . . . . . . . . 29--40
         Josep Maria Bofill and   
             Wolfgang Quapp and   
                   Efrem Bernuz   Some remarks on the model of the
                                  extended gentlest ascent dynamics  . . . 41--57
   Patrick Cassam-Chena\"\i and   
            Guillaume Dhont and   
  Frédéric Patras   A fast algorithm for the construction of
                                  integrity bases associated to
                                  symmetry-adapted polynomial
                                  representations: application to
                                  tetrahedral XY$_4$ molecules . . . . . . 58--85
   János Tóth and   
Attila László Nagy and   
István Gyula Zsély   Structural analysis of combustion
                                  mechanisms . . . . . . . . . . . . . . . 86--110
               Aya Al-Zarka and   
               Afnan Alagha and   
                    S. Timoshin   Transient behaviour in RDA systems of
                                  the Schnakenberg type  . . . . . . . . . 111--127
                    Wei Hua and   
                    Yan Lyu and   
                   Xue Shen Liu   Interference of two Bose--Einstein
                                  condensates with varying initial
                                  conditions . . . . . . . . . . . . . . . 128--136
               Neetik Mukherjee   A simulated annealing based study of the
                                  effect of Gaussian perturbation in
                                  quartic oscillator and quadratic double
                                  well potentials  . . . . . . . . . . . . 137--150
                Wenjin Zhou and   
            Allison M. Rossetto   Finding protein thermostability and
                                  spin-coupling constant using Bayesian
                                  statistics . . . . . . . . . . . . . . . 151--161
                Wenjin Zhou and   
            Allison M. Rossetto   Erratum to: Finding protein
                                  thermostability and spin-coupling
                                  constant using Bayesian statistics . . . 162--162
        Nikolay A. Tikhonov and   
             Gleb B. Sidelnikov   Quantitative analysis of physical
                                  factors that determine the behavior of
                                  activity coefficients of electrolytes.
                                  II. Dependence on temperature  . . . . . 163--170
       Ramon Carbó-Dorca   Quantum polyhedra, definitions,
                                  statistics and the construction of a
                                  collective quantum similarity index  . . 171--182
               Nils A. Baas and   
          Nadrian C. Seeman and   
                  Andrew Stacey   Synthesising topological links . . . . . 183--199
                 Won Sang Chung   Modified $q$-deformed Tamm--Dancoff
                                  oscillators as a model for vibrations of
                                  polyatomic molecule  . . . . . . . . . . 200--206
           Jasintha Quadras and   
    A. Sajiya Merlin Mahizl and   
            Indra Rajasingh and   
               R. Sundara Rajan   Domination in certain chemical graphs    207--219
Vladimir Vladimirovich Gubernov and   
                   Jong Soo Kim   The fast-time instability map of Liñán's
                                  diffusion-flame regime . . . . . . . . . 220--235
Francisco M. Fernández and   
            Diego R. Alcoba and   
       Ofelia B. Oña and   
               Alicia Torre and   
                      Luis Lain   Electronic densities in systems with
                                  fractionally charged nuclei: a symmetry
                                  breaking study . . . . . . . . . . . . . 236--249
          J. Robert Michael and   
             Tibor Koritsanszky   Validation of convolution approximation
                                  to the thermal-average electron density  250--259
                Shinsaku Fujita   Stereoisograms for three-membered
                                  heterocycles: I. Symmetry-itemized
                                  enumeration of oxiranes under an
                                  RS-stereoisomeric group  . . . . . . . . 260--304
                Shinsaku Fujita   Stereoisograms for three-membered
                                  heterocycles: II. Chirality,
                                  RS-stereogenicity, and
                                  ortho-stereogenicity on the basis of the
                                  proligand-promolecule model  . . . . . . 305--352
                Shinsaku Fujita   Stereoisograms for three-membered
                                  heterocycles: III. R/S-stereodescriptors
                                  for characterizing the RS-stereogenic
                                  aspect of absolute configuration . . . . 353--373
          E. Assémat and   
               T. Chambrion and   
                       D. Sugny   On the control by electromagnetic fields
                                  of quantum systems with infinite
                                  dimensional Hilbert space  . . . . . . . 374--385
                    Cong Li and   
                 Yunchao Wu and   
                     Zheng Chen   Effects of reaction reversibility on
                                  ignition and flame propagation . . . . . 386--401
                    T. E. Simos   A new explicit four-step method with
                                  vanished phase-lag and its first and
                                  second derivatives . . . . . . . . . . . 402--429
             Alicia Cordero and   
     Javier G. Maimó and   
         Juan R. Torregrosa and   
      María P. Vassileva   Solving nonlinear problems by
                                  Ostrowski--Chun type parametric families 430--449

Journal of Mathematical Chemistry
Volume 53, Number 2, February, 2015

Jorge Ignacio Martínez-Araya   Why is the dual descriptor a more
                                  accurate local reactivity descriptor
                                  than Fukui functions?  . . . . . . . . . 451--465
                    A. Thilagam   Natural light harvesting systems:
                                  unraveling the quantum puzzles . . . . . 466--494
                   Jan Turulski   Dimension of the Gibbs function
                                  topological manifold: 1. Graph
                                  representation of the thermodynamic
                                  equilibrium state  . . . . . . . . . . . 495--513
                   Jan Turulski   Erratum to: Dimension of the Gibbs
                                  function topological manifold: 1. Graph
                                  representation of the thermodynamic
                                  equilibrium state  . . . . . . . . . . . 514--516
                   Jan Turulski   Dimension of the Gibbs function
                                  topological manifold: 2.
                                  Thermodynamically stable binary
                                  quasicrystals: Reality or artefact?  . . 517--526
                   Jan Turulski   Erratum to: Dimension of the Gibbs
                                  function topological manifold: 2.
                                  Thermodynamically stable binary
                                  quasicrystals: Reality or artefact?  . . 527--527
           Alexey V. Akimov and   
                Oleg V. Prezhdo   Analysis of self-consistent extended
                                  Hückel theory (SC-EHT): a new look at the
                                  old method . . . . . . . . . . . . . . . 528--550
             Shu-Chuan Chen and   
              Dan M. Hayden and   
               Stanley S. Young   The wavelet transforms and statistical
                                  models for near infrared spectra
                                  analysis . . . . . . . . . . . . . . . . 551--572
               J. S. Dehesa and   
                A. Guerrero and   
       P. Sánchez-Moreno   Entropy and complexity analysis of the
                                  $D$-dimensional rigid rotator and
                                  hyperspherical harmonics . . . . . . . . 573--589
       Ramon Carbó-Dorca   Coulomb repulsion, point-like nuclear
                                  charges, Dirac paradox, soft nuclear
                                  charge density and hypermultiplet
                                  nuclear repulsion  . . . . . . . . . . . 590--603
              V. Skakauskas and   
                   P. Katauskis   Modelling dimer-dimer reactions on
                                  supported catalysts  . . . . . . . . . . 604--617
                      Tapas Das   A Laplace transform approach to find the
                                  exact solution of the $N$-dimensional
                                  Schrödinger equation with Mie-type
                                  potentials and construction of Ladder
                                  operators  . . . . . . . . . . . . . . . 618--628
               Josef Paldus and   
                Tokuei Sako and   
          Geerd H. F. Diercksen   On the cluster structure of linear-chain
                                  fermionic wave functions . . . . . . . . 629--650
          Karl K. Sabelfeld and   
              Oliver Brandt and   
            Vladimir M. Kaganer   Stochastic model for the
                                  fluctuation-limited reaction-diffusion
                                  kinetics in inhomogeneous media based on
                                  the nonlinear Smoluchowski equations . . 651--669
              Amit K. Verma and   
                  Mandeep Singh   Singular nonlinear three point BVPs
                                  arising in thermal explosion in a
                                  cylindrical reactor  . . . . . . . . . . 670--684
           Ibraheem Alolyan and   
                    T. E. Simos   A predictor-corrector explicit four-step
                                  method with vanished phase-lag and its
                                  first, second and third derivatives for
                                  the numerical integration of the
                                  Schrödinger equation  . . . . . . . . . . 685--717
                 A. Donovan and   
                      H. Rabitz   Systematically altering the apparent
                                  topology of constrained quantum control
                                  landscapes . . . . . . . . . . . . . . . 718--736
           Joseph M. Powers and   
            Samuel Paolucci and   
          Joshua D. Mengers and   
           Ashraf N. Al-Khateeb   Slow attractive canonical invariant
                                  manifolds for reactive systems . . . . . 737--766
              Randhir Singh and   
             Abdul-Majid Wazwaz   An efficient approach for solving
                                  second-order nonlinear differential
                                  equation with Neumann boundary
                                  conditions . . . . . . . . . . . . . . . 767--790

Journal of Mathematical Chemistry
Volume 53, Number 3, March, 2015

             J. Vigo-Aguiar and   
                  Higinio Ramos   Mathematical and computational tools in
                                  chemistry: CMMSE-2014  . . . . . . . . . 791--793
J. M. García-Martínez and   
        E. M. Garzón and   
              J. M. Cecilia and   
H. Pérez-Sánchez and   
                 P. M. Ortigosa   An efficient approach for solving the HP
                                  protein folding problem based on UEGO    794--806
                  B. Campos and   
                 A. Cordero and   
           J. R. Torregrosa and   
                      P. Vindel   Behaviour of fixed and critical points
                                  of the $ \left (\alpha, c \right)
                                  $-family of iterative methods  . . . . . 807--827
        Carmen Calvo-Jurado and   
             William J. Parnell   Hashin--Shtrikman bounds on the
                                  effective thermal conductivity of a
                                  transversely isotropic two-phase
                                  composite material . . . . . . . . . . . 828--843
                Rajnesh Lal and   
                    Zhenquan Li   Sensitivity analysis of a mesh
                                  refinement method using the numerical
                                  solutions of $2$D lid-driven cavity flow 844--867
                 A. Kouibia and   
                 M. Pasadas and   
                  Z. Belhaj and   
                     A. Hananel   The variational spline method for
                                  solving Troesch's problem  . . . . . . . 868--879
       José L. Hueso and   
    Eulalia Martínez and   
                  Carles Teruel   Determination of multiple roots of
                                  nonlinear equations and applications . . 880--892
             Alicia Cordero and   
               Licheng Feng and   
Alberto Magreñán and   
             Juan R. Torregrosa   A new fourth-order family for solving
                                  nonlinear problems and its dynamics  . . 893--910
                  B. Pekmen and   
                M. Tezer-Sezgin   DRBEM solution of natural convective
                                  heat transfer with a non-Darcy model in
                                  a porous medium  . . . . . . . . . . . . 911--924
            L. Bayón and   
                J. A. Otero and   
                 M. M. Ruiz and   
        P. M. Suárez and   
                       C. Tasis   Sensitivity analysis of a linear and
                                  unbranched chemical process with $n$
                                  steps  . . . . . . . . . . . . . . . . . 925--940
                    M. Rosa and   
        M. S. Bruzón and   
                M. L. Gandarias   A conservation law for a generalized
                                  chemical Fisher equation . . . . . . . . 941--948
              R. de la Rosa and   
            M. L. Gandarias and   
            M. S. Bruzón   A study for the microwave heating of
                                  some chemical reactions through Lie
                                  symmetries and conservation laws . . . . 949--957
              L. F. Morgado and   
                  M. L. Morgado   Numerical modelling transient current in
                                  the time-of-flight experiment with
                                  time-fractional advection-diffusion
                                  equations  . . . . . . . . . . . . . . . 958--973

Journal of Mathematical Chemistry
Volume 53, Number 4, April, 2015

                  G. Milani and   
                   T. Hanel and   
                 R. Donetti and   
                      F. Milani   A closed form solution for the
                                  vulcanization prediction of NR cured
                                  with sulphur and different accelerators  975--997
  Francisco M. Fernández   Perturbation theory by the moment method
                                  and point-group symmetry . . . . . . . . 998--1009
                Shinsaku Fujita   Combinatorial approach to group
                                  hierarchy for stereoskeletons of ligancy
                                  $4$  . . . . . . . . . . . . . . . . . . 1010--1053
             Jun-Sheng Duan and   
              Randolph Rach and   
             Abdul-Majid Wazwaz   Steady-state concentrations of carbon
                                  dioxide absorbed into phenyl glycidyl
                                  ether solutions by the Adomian
                                  decomposition method . . . . . . . . . . 1054--1067
           Alexei M. Frolov and   
               David M. Wardlaw   On the products of bipolar harmonics . . 1068--1079
           Sonsoles Encinar and   
J. L. González-Hernández and   
              M. Mar Canedo and   
                   Diana Juanes   A robust hybrid algorithm (neural
                                  networks-AGDC) applied to non-isothermal
                                  kinetics of consecutive chemical
                                  reactions  . . . . . . . . . . . . . . . 1080--1104
           Chu Rainer Kwang-Hua   Conductivities of ionic fluids in
                                  bismuth oxysulfates  . . . . . . . . . . 1105--1112
             H. Fatoorehchi and   
                  I. Gutman and   
                 H. Abolghasemi   A combined technique for computation of
                                  energy-effect of cycles in conjugated
                                  molecules  . . . . . . . . . . . . . . . 1113--1125
            Roman F. Nalewajski   Resultant entropy/information,
                                  phase/entropy continuity and bond
                                  multiplicities in degenerate electronic
                                  states . . . . . . . . . . . . . . . . . 1126--1161
                    B. Bira and   
                 T. Raja Sekhar   Exact solutions to magnetogasdynamic
                                  equations in Lagrangian coordinates  . . 1162--1171
             Gábor Lente   Kinetics of irreversible consecutive
                                  processes with first order second steps:
                                  analytical solutions . . . . . . . . . . 1172--1183
              Boris Furtula and   
                    Ivan Gutman   A forgotten topological index  . . . . . 1184--1190
             Alicia Cordero and   
     Javier G. Maimó and   
         Juan R. Torregrosa and   
      María P. Vassileva   Erratum to: Solving nonlinear problems
                                  by Ostrowski--Chun type parametric
                                  families . . . . . . . . . . . . . . . . 1191--1192

Journal of Mathematical Chemistry
Volume 53, Number 5, May, 2015

           Andrew Fiordalis and   
                   Jerry Meldon   Concentration profile curvature for
                                  diffusion processes with simultaneous
                                  irreversible reaction  . . . . . . . . . 1193--1194
                 A. Carmona and   
              A. M. Encinas and   
                     M. Mitjana   Kirchhoff index of periodic linear
                                  chains . . . . . . . . . . . . . . . . . 1195--1206
Mário N. Berberan-Santos   Probabilistic view of the luminescence
                                  phasor plot and description of the
                                  universal semicircle as the sum of two
                                  spiraling curves . . . . . . . . . . . . 1207--1219
                Jinxing Liu and   
                 Tianxiu Lu and   
                      Risong Li   Topological entropy and $ {\cal P}
                                  $-chaos of a coupled lattice system with
                                  non-zero coupling constant related with
                                  Belusov--Zhabotinskii reaction . . . . . 1220--1226
       Mazvydas Mackevicius and   
        Feliksas Ivanauskas and   
            Aivaras Kareiva and   
       Vigirdas Mackevicius and   
               Andrius Stanulis   Computer modeling of synthesis of
                                  strontium stannates at high temperatures 1227--1238
                   Kenan Mu and   
                    T. E. Simos   A Runge--Kutta type implicit high
                                  algebraic order two-step method with
                                  vanished phase-lag and its first,
                                  second, third and fourth derivatives for
                                  the numerical solution of coupled
                                  differential equations arising from the
                                  Schrödinger equation  . . . . . . . . . . 1239--1256
 Árpád Baricz and   
     Tibor K. Pogány and   
       Saminathan Ponnusamy and   
                     Imre Rudas   Bounds for Jaeger integrals  . . . . . . 1257--1273
                    I. Nagy and   
                  M. L. Glasser   Information-theoretic aspects of
                                  friction in the quantum mechanics of an
                                  interacting two-electron harmonic atom   1274--1279
                       Yue Chan   Mathematical modeling and simulations on
                                  massive hydrogen yield using
                                  functionalized nanomaterials . . . . . . 1280--1293

Journal of Mathematical Chemistry
Volume 53, Number 6, June, 2015

                  Hang Ning and   
                    T. E. Simos   A low computational cost eight algebraic
                                  order hybrid method with vanished
                                  phase-lag and its first, second, third
                                  and fourth derivatives for the
                                  approximate solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1295--1312
                M. L. Strekalov   Time-dependent concentrations of
                                  reagents and products involved in the
                                  dissociation-recombination process . . . 1313--1324
        Babatunde J. Falaye and   
          Sameer M. Ikhdair and   
                  Majid Hamzavi   Spectroscopic study of some diatomic
                                  molecules via the proper quantization
                                  rule . . . . . . . . . . . . . . . . . . 1325--1350
                Paolo Amore and   
  Francisco M. Fernández   Small-energy series for one-dimensional
                                  quantum-mechanical models with
                                  non-symmetric potentials . . . . . . . . 1351--1362
                  G. Milani and   
                      F. Milani   Iterative robust numerical procedure for
                                  the determination of kinetic constants
                                  in Han's model for NR cured with sulphur 1363--1379
             Martina Costa Reis   Application of variational methods in
                                  chemical thermodynamics: a study of the
                                  stability of chemical systems  . . . . . 1380--1392
                Wenzhen Gan and   
               Canrong Tian and   
                       Peng Zhu   Hopf bifurcation in a fractional
                                  diffusion food-limited models with
                                  feedback control . . . . . . . . . . . . 1393--1411
               Kinshuk Banerjee   Dynamic hysteresis in the velocity and
                                  dissipation of stochastic
                                  Michaelis--Menten kinetics . . . . . . . 1412--1425
           Alexei M. Frolov and   
               David M. Wardlaw   Three-particle integrals with spherical
                                  Bessel and Neumann functions and
                                  photodetachment of the negatively
                                  charged hydrogen ions  . . . . . . . . . 1426--1444
       Arjan van der Schaft and   
                Shodhan Rao and   
              Bayu Jayawardhana   Complex and detailed balancing of
                                  chemical reaction networks revisited . . 1445--1458
                 Xing-Jian Wang   Temperature effect on vertical
                                  detachment energy of bulk hydrated
                                  electron by dielectric continuum theory  1459--1469
               Yanping Yang and   
                      Ke Wu and   
                   Yonglei Fang   Exponentially fitted TDRK pairs for the
                                  Schrödinger equation  . . . . . . . . . . 1470--1487
          Vladimir R. Rosenfeld   Equivalent genomic (proteomic) sequences
                                  and semigroups . . . . . . . . . . . . . 1488--1494

Journal of Mathematical Chemistry
Volume 53, Number 7, August, 2015

           Ibraheem Alolyan and   
                    T. E. Simos   A high algebraic order
                                  predictor-corrector explicit method with
                                  vanished phase-lag and its first,
                                  second, third and fourth derivatives for
                                  the numerical solution of the Schrödinger
                                  equation and related problems  . . . . . 1495--1522
       Robert A. Van Gorder and   
             Kalie Makowski and   
               Kristina Mallory   Self-similar solutions for the nonlinear
                                  dispersion of a chemical pollutant into
                                  a river flow . . . . . . . . . . . . . . 1523--1536
      Hermina Alajbegovi\'c and   
           Muharem Avdispahi\'c   Zeta and normal zeta functions for a
                                  subclass of space groups . . . . . . . . 1537--1548
            Roman F. Nalewajski   Quantum information descriptors in
                                  position and momentum spaces . . . . . . 1549--1575
                   Laszlo Tarko   Computation of the molecular shapes'
                                  similarity and diversity using USR
                                  method and General Shape Index . . . . . 1576--1591
        Ö. Oruç and   
                   F. Bulut and   
                        A. Esen   A Haar wavelet-finite difference hybrid
                                  method for the numerical solution of the
                                  modified Burgers' equation . . . . . . . 1592--1607
                   K.-E. Thylwe   Applications of the amplitude-phase
                                  method to symmetric double-well
                                  potentials . . . . . . . . . . . . . . . 1608--1616
           Qiong-Xiang Kong and   
                    Ji-Teng Jia   A structure-preserving algorithm for
                                  linear systems with circulant
                                  pentadiagonal coefficient matrices . . . 1617--1633
             Robert Penfold and   
                 Peter J. Wilde   Enumerating and indexing many-body
                                  intramolecular interactions: a graph
                                  theoretic approach . . . . . . . . . . . 1634--1648

Journal of Mathematical Chemistry
Volume 53, Number 8, September, 2015

  Francisco M. Fernández   About the crossing of the energy levels
                                  of a parameter-dependent
                                  quantum-mechanical Hamiltonian . . . . . 1649--1650
       Ramon Carbó-Dorca   Least squares estimation of unknown
                                  molecular properties and quantum QSPR
                                  fundamental equation . . . . . . . . . . 1651--1656
        Attila Gábor and   
          Katalin M. Hangos and   
             Julio R. Banga and   
Gábor Szederkényi   Reaction network realizations of
                                  rational biochemical systems and their
                                  structural properties  . . . . . . . . . 1657--1686
                     Mike Steel   Self-sustaining autocatalytic networks
                                  within open-ended reaction systems . . . 1687--1701
             Jan Goedgebeur and   
               Brendan D. McKay   Recursive generation of IPR fullerenes   1702--1724
                C. Amovilli and   
                    N. H. March   Electrostatic potentials at the nucleus
                                  for isoelectronic series of light atomic
                                  ions using the QMC method in relation to
                                  DFT  . . . . . . . . . . . . . . . . . . 1725--1732
           Kinshuk Banerjee and   
            Gautam Gangopadhyay   Characterization of conical intersection
                                  in a cis- trans isomerization through
                                  nonclassicality and entanglement . . . . 1733--1749
       Ramon Carbó-Dorca   An isometric representation problem in
                                  quantum multimolecular polyhedra and
                                  similarity . . . . . . . . . . . . . . . 1750--1758
             Gábor Lente   Analytical solutions for the rate
                                  equations of irreversible two-step
                                  consecutive processes with second order
                                  later steps  . . . . . . . . . . . . . . 1759--1771
              Senja Barthel and   
                   Dorothy Buck   Toroidal embeddings of abstractly planar
                                  graphs are knotted or linked . . . . . . 1772--1790
                Xian'an Jin and   
               Xiao-Sheng Cheng   Topological chirality of a type of DNA
                                  and protein polyhedral links . . . . . . 1791--1807
           Ibraheem Alolyan and   
                    T. E. Simos   Efficient low computational cost hybrid
                                  explicit four-step method with vanished
                                  phase-lag and its first, second, third
                                  and fourth derivatives for the numerical
                                  integration of the Schrödinger equation   1808--1834
                   Ying Liu and   
                    Yue Liu and   
             Michael G. B. Drew   A mathematical approach to chemical
                                  equilibrium theory for gaseous systems
                                  IV: a mathematical clarification of Le
                                  Chatelier's principle  . . . . . . . . . 1835--1870
          Vladimir R. Rosenfeld   Some differential properties of Pólya's
                                  cycle indicators . . . . . . . . . . . . 1871--1875
       Ramon Carbó-Dorca   An isometric representation problem in
                                  quantum multimolecular polyhedra and
                                  similarity: (2) synisometry  . . . . . . 1876--1884
                 Genyuan Li and   
      Roberto Rey-de-Castro and   
                    Xi Xing and   
                Herschel Rabitz   Sparse and nonnegative sparse D-MORPH
                                  regression . . . . . . . . . . . . . . . 1885--1914
           Ibraheem Alolyan and   
                    T. E. Simos   A high algebraic order multistage
                                  explicit four-step method with vanished
                                  phase-lag and its first, second, third,
                                  fourth and fifth derivatives for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1915--1942

Journal of Mathematical Chemistry
Volume 53, Number 9, October, 2015

              Akitomo Tachibana   General relativistic symmetry of
                                  electron spin vorticity  . . . . . . . . 1943--1965
            Roman F. Nalewajski   On probability flow descriptors in
                                  position and momentum spaces . . . . . . 1966--1985
            Damian Mikulski and   
         Daniel Gasperowicz and   
                 Jerzy Konarski   The construction of the
                                  Gilmore--Perelomov coherent states for
                                  the Kratzer--Fues anharmonic oscillator
                                  with the use of the algebraic approach   1986--1996
            Steffen Arnrich and   
          Peter Bräuer and   
                    Grit Kalies   Solving the adsorption integral equation
                                  with Langmuir-kernel and the influence
                                  of temperature on the stability of the
                                  solution . . . . . . . . . . . . . . . . 1997--2017
            Damian Mikulski and   
             Jerzy Konarski and   
             Krzysztof Eder and   
              Marcin Molski and   
        Stanis\law Kabaci\'nski   Exact solution of the Schrödinger
                                  equation with a new expansion of
                                  anharmonic potential with the use of the
                                  supersymmetric quantum mechanics and
                                  factorization method . . . . . . . . . . 2018--2027
Néstor Cubillán and   
       Yovani Marrero-Ponce and   
          Harold Ariza-Rico and   
         Stephen J. Barigye and   
César R. García-Jacas and   
José R. Valdes-Martini and   
      Ysaías J. Alvarado   Novel global and local $3$D atom-based
                                  linear descriptors of the Minkowski
                                  distance matrix: theory,
                                  diversity-variability analysis and QSPR
                                  applications . . . . . . . . . . . . . . 2028--2064
             Z. I. Ismailov and   
                B. O. Guler and   
                        P. Ipek   Solvability of first order functional
                                  differential operators . . . . . . . . . 2065--2077
           Gunnar Brinkmann and   
            Dieter Mourisse and   
                 Leanne Rylands   On the existence of nanojoins with given
                                  parameters . . . . . . . . . . . . . . . 2078--2094
               R. Rajaraman and   
                   G. Hariharan   An efficient wavelet based spectral
                                  method to singular boundary value
                                  problems . . . . . . . . . . . . . . . . 2095--2113

Journal of Mathematical Chemistry
Volume 53, Number 10, November, 2015

                  Risong Li and   
                        Yu Zhao   Remark on positive entropy of a coupled
                                  lattice system related with
                                  Belusov--Zhabotinskii reaction . . . . . 2115--2119
              M. J. Bucknum and   
                   E. A. Castro   Structural chemistry and the
                                  transcendental numbers $ \phi $, $e$,
                                  and $ \pi $  . . . . . . . . . . . . . . 2120--2122
              V. Skakauskas and   
                   P. Katauskis   Three mean-field models for bimolecular
                                  reactions proceeding on planar supported
                                  catalysts  . . . . . . . . . . . . . . . 2123--2136
       Vladimir V. Gubernov and   
               Sergei S. Minaev   The effect of depletion of radicals on
                                  freely propagating hydrocarbon flames    2137--2154
                Burcu Tunga and   
                 Metin Demiralp   Weight optimization in HDMR with
                                  perturbation expansion method  . . . . . 2155--2171
               Alexei M. Frolov   On the interpolation formula for the
                                  bound state energies of atomic systems   2172--2183
                   Mihaly Mezei   Use of circular variance to quantify the
                                  deviation of a macromolecule from the
                                  spherical shape  . . . . . . . . . . . . 2184--2190
                    Fei Hui and   
                    T. E. Simos   A new family of two stage symmetric
                                  two-step methods with vanished phase-lag
                                  and its derivatives for the numerical
                                  integration of the Schrödinger equation   2191--2213


Journal of Mathematical Chemistry
Volume 54, Number 1, January, 2016

            Carlee Joe-Wong and   
                 Tak-San Ho and   
                Herschel Rabitz   On choosing the form of the objective
                                  functional for optimal control of
                                  molecules  . . . . . . . . . . . . . . . 1--9
    Ottilia Fülöp and   
     Béla Barabás   Impact of the Soai-autocatalysis on
                                  natural sciences . . . . . . . . . . . . 10--17
              Xiaoyan Jiang and   
                   Heping Zhang   The maximum forcing number of
                                  cylindrical grid, toroidal $4$--$8$
                                  lattice and Klein bottle $4$--$8$
                                  lattice  . . . . . . . . . . . . . . . . 18--32
           Forrest H. Kaatz and   
               Adhemar Bultheel   Dimensionality of hypercube clusters . . 33--43
         Martina Costa Reis and   
Maria de Fátima Brito Sousa and   
    Celso Aparecido Bertran and   
Adalberto Bono Maurizio Sacchi Bassi   Non-equilibrium thermodynamic model for
                                  calcium carbonate supersaturated
                                  solutions of high salinity . . . . . . . 44--60
       Ramon Carbó-Dorca   A study on the centroid vector of a
                                  polyhedron . . . . . . . . . . . . . . . 61--71
                Shigeru Arimoto   Proof of the Asymptotic Linearity
                                  Theorem Extension Conjecture (ALTEC) . . 72--84
Roland Tóbiás and   
                     Gyula Tasi   Simple algebraic solutions to the
                                  kinetic problems of triangle, quadrangle
                                  and pentangle reactions  . . . . . . . . 85--99
           Chu Rainer Kwang-Hua   Formation of weakly bound molecular
                                  complexes: ($^3$ He)$_2$ . . . . . . . . 100--108
         Nikolay Kyurkchiev and   
               Svetoslav Markov   On the Hausdorff distance between the
                                  Heaviside step function and Verhulst
                                  logistic function  . . . . . . . . . . . 109--119
                 Hongxia Wu and   
                  Xiaoqin P. Wu   Bogdanov--Takens singularity for a
                                  system of reaction--diffusion equations  120--136
                 Wolfgang Quapp   Can we understand the branching of
                                  reaction valleys for more than two
                                  degrees of freedom?  . . . . . . . . . . 137--148
            Dzevad Belki\'c and   
                 Karen Belki\'c   How the fast Padé transform handles noise
                                  for MRS data from the ovary: importance
                                  for ovarian cancer diagnostics . . . . . 149--185
            Dzevad Belki\'c and   
                 Karen Belki\'c   Mathematically-optimized magnetic
                                  resonance spectroscopy in breast cancer
                                  diagnostics: implications for
                                  personalized cancer medicine . . . . . . 186--230
              Mandeep Singh and   
                  Amit K. Verma   An effective computational technique for
                                  a class of Lane--Emden equations . . . . 231--251
             Abdul-Majid Wazwaz   Gaussian solitary waves for the
                                  logarithmic-BBM and the logarithmic-TRLW
                                  equations  . . . . . . . . . . . . . . . 252--268
             M. Mahalakshmi and   
                   G. Hariharan   An efficient Chebyshev wavelet based
                                  analytical algorithm to steady state
                                  reaction-diffusion models arising in
                                  mathematical chemistry . . . . . . . . . 269--285
                Shinsaku Fujita   Type-itemized enumeration of quadruplets
                                  of RS-stereoisomers. I. Cycle indices
                                  with chirality fittingness modulated by
                                  type-IV quadruplets  . . . . . . . . . . 286--309
                Shinsaku Fujita   Type-itemized enumeration of quadruplets
                                  of RS-stereoisomers: II-cycle indices
                                  with chirality fittingness modulated by
                                  type-V quadruplets . . . . . . . . . . . 310--330
      Hermina Alajbegovi\'c and   
           Muharem Avdispahi\'c   Zeta functions and subgroup growth in $
                                  \mathbf {P}2 / m $ . . . . . . . . . . . 331--343

Journal of Mathematical Chemistry
Volume 54, Number 2, February, 2016

                 Shi-Fa Cao and   
                    Jun Yin and   
                Yin-Sheng Huang   Theoretical investigation of the
                                  substitution effects on carrier
                                  transport properties of
                                  tetrathia[22]annulene-[2,1,2,1]
                                  derivatives  . . . . . . . . . . . . . . 345--357
           Hiroshi Koibuchi and   
           Andrey Shobukhov and   
                   Hideo Sekino   Surface tension and Laplace pressure in
                                  triangulated surface models for
                                  membranes without fixed boundary . . . . 358--374
         J. Alvarez-Ramirez and   
                   R. Femat and   
                   M. Meraz and   
               C. Ibarra-Valdez   Some remarks on the
                                  Langmuir--Hinshelwood kinetics . . . . . 375--392
           Mikhail L. Strekalov   Classical trajectories as solutions of
                                  the Schrödinger equation  . . . . . . . . 393--402
               Yingxiong Fu and   
              Jiangtao Peng and   
                    Xuemei Dong   Partial least squares with a regularized
                                  weight . . . . . . . . . . . . . . . . . 403--415
                 Kecai Deng and   
                 Xiaoling Zhang   Enumeration of cyclic polyazulenoids . . 416--427
            Saad Ihsan Butt and   
             Muhammad Numan and   
                  Shahid Qaisar   Labelings of type $ (1, 1, 1) $ for
                                  Klein bottle fullerenes  . . . . . . . . 428--441
                  Zhou Zhou and   
                    T. E. Simos   A new two stage symmetric two-step
                                  method with vanished phase-lag and its
                                  first, second, third and fourth
                                  derivatives for the numerical solution
                                  of the radial Schrödinger equation  . . . 442--465
           Ibraheem Alolyan and   
                    T. E. Simos   Family of symmetric linear six-step
                                  methods with vanished phase-lag and its
                                  derivatives and their application to the
                                  radial Schrödinger equation and related
                                  problems . . . . . . . . . . . . . . . . 466--502
       M. J. Campión and   
               G. Arzamendi and   
        L. M. Gandía and   
             E. Induráin   Entropy of chemical processes versus
                                  numerical representability of orderings  503--526
                 Nilima Das and   
              Randhir Singh and   
         Abdul-Majid Wazwaz and   
                 Jitendra Kumar   An algorithm based on the variational
                                  iteration technique for the Bratu-type
                                  and the Lane--Emden problems . . . . . . 527--551
  Francisco M. Fernández   On the algebraic structure of central
                                  molecular chirality  . . . . . . . . . . 552--558
          Vladimir R. Rosenfeld   The fractal nature of folds and the
                                  Walsh copolymers . . . . . . . . . . . . 559--571
                  Michal Lesiuk   Calculation of STOs electron repulsion
                                  integrals by ellipsoidal expansion and
                                  large-order approximations . . . . . . . 572--591
        Nikolay A. Tikhonov and   
           Mikhail G. Tokmachev   Qualitative analysis of physical factors
                                  that determine activity coefficients of
                                  electrolytes. III. Mixtures of
                                  electrolytes . . . . . . . . . . . . . . 592--601
            Dzevad Belki\'c and   
                 Karen Belki\'c   Quantification by the fast Padé transform
                                  of magnetic resonance spectroscopic data
                                  encoded at 1.5 T: implications for brain
                                  tumor diagnostics  . . . . . . . . . . . 602--655

Journal of Mathematical Chemistry
Volume 54, Number 3, March, 2016

       Ramon Carbó-Dorca   About Erd\Hos discrepancy conjecture . . 657--660
              Akitomo Tachibana   Time-dependent renormalization of
                                  alpha-oscillators for QED  . . . . . . . 661--681
              Daniel A. Morales   On the evaluation of integrals with
                                  Coulomb Sturmian radial functions  . . . 682--689
                Shouliu Wei and   
                Xiaoling Ke and   
                    Fenggen Lin   Perfect matchings in random polyomino
                                  chain graphs . . . . . . . . . . . . . . 690--697
         Natalia Sizochenko and   
             Victor Kuz'min and   
        Liudmila Ognichenko and   
              Jerzy Leszczynski   Introduction of simplex-informational
                                  descriptors for QSPR analysis of
                                  fullerene derivatives  . . . . . . . . . 698--706
            Dzevad Belki\'c and   
                 Karen Belki\'c   The fast Padé transform for noisy
                                  magnetic resonance spectroscopic data
                                  from the prostate: potential
                                  contribution to individualized prostate
                                  cancer care  . . . . . . . . . . . . . . 707--764
      Vladimir R. Rosenfeld and   
         Andrey A. Dobrynin and   
             Josep M. Oliva and   
              Juanjo Rué   Pentagonal chains and annuli as models
                                  for designing nanostructures from cages  765--776
               Qiumei Zhang and   
                   Daqing Jiang   Competitive exclusion in a stochastic
                                  chemostat model with Holling type II
                                  functional response  . . . . . . . . . . 777--791
         Nikolay Kyurkchiev and   
               Svetoslav Markov   On the numerical solution of the general
                                  kinetic ``$K$-angle'' reaction system    792--805
Péter Árendás and   
         Tibor Furtenbacher and   
Attila G. Császár   On spectra of spectra  . . . . . . . . . 806--822
           Jasintha Quadras and   
   Krishnan Balasubramanian and   
             K. Arputha Christy   Analytical expressions for Wiener
                                  indices of $n$-circumscribed
                                  peri-condensed benzenoid graphs  . . . . 823--843

Journal of Mathematical Chemistry
Volume 54, Number 4, April, 2016

       Ramon Carbó-Dorca   About an incoherent precision behavior
                                  in LCAO MO theory when a simple diatomic
                                  molecule collapses into an atom  . . . . 845--848
                  Risong Li and   
                    Yu Zhao and   
                   Ru Jiang and   
                  Hongqing Wang   Some remarks on chaos of a coupled
                                  lattice system related with the
                                  Belusov--Zhabotinskii reaction . . . . . 849--853
                  Ying Yang and   
                   Daqing Jiang   Long-time behavior of a perturbed
                                  enzymatic reaction model under negative
                                  feedback process by white noise  . . . . 854--865
                  M. Merkli and   
               G. P. Berman and   
                R. T. Sayre and   
              S. Gnanakaran and   
          M. Könenberg and   
             A. I. Nesterov and   
                        H. Song   Dynamics of a chlorophyll dimer in
                                  collective and local thermal
                                  environments . . . . . . . . . . . . . . 866--917
              Randhir Singh and   
              Sukhjit Singh and   
             Abdul-Majid Wazwaz   A modified homotopy perturbation method
                                  for singular time dependent
                                  Emden--Fowler equations with boundary
                                  conditions . . . . . . . . . . . . . . . 918--931
            Roman F. Nalewajski   On entropy-continuity descriptors of
                                  molecular equilibrium states . . . . . . 932--954
                 Zubeyir Cinkir   Effective resistances and Kirchhoff
                                  index of ladder graphs . . . . . . . . . 955--966
               Sean McGinty and   
             Giuseppe Pontrelli   On the role of specific drug binding in
                                  modelling arterial eluting stents  . . . 967--976
               Nino Basi\'c and   
          Patrick W. Fowler and   
                 Tomaz Pisanski   Coronoids, patches and generalised
                                  altans . . . . . . . . . . . . . . . . . 977--1009
           Ibraheem Alolyan and   
                    T. E. Simos   An implicit symmetric linear six-step
                                  methods with vanished phase-lag and its
                                  first, second, third and fourth
                                  derivatives for the numerical solution
                                  of the radial Schrödinger equation and
                                  related problems . . . . . . . . . . . . 1010--1040

Journal of Mathematical Chemistry
Volume 54, Number 5, May, 2016

                        Y. Chan   Modelling and MD simulations on
                                  ultra-filtration using graphene sheet    1041--1056
                 Helin Gong and   
                Xian'an Jin and   
                     Fuji Zhang   Tutte polynomials for benzenoid systems
                                  with one branched hexagon  . . . . . . . 1057--1071
            S. G. Venkatesh and   
        S. Raja Balachandar and   
            S. K. Ayyaswamy and   
             K. Balasubramanian   A new approach for solving a model for
                                  HIV infection of $ \mathbf {CD4}^+ \,
                                  \mathbf {T} $-cells arising in
                                  mathematical chemistry using wavelets    1072--1082
 María Belén Ruiz   Evaluation of Hylleraas--CI atomic
                                  integrals by integration over the
                                  coordinates of one electron. IV. An
                                  improved algorithm for three-electron
                                  kinetic energy integrals . . . . . . . . 1083--1109
                  Risong Li and   
               Jianjun Wang and   
                 Tianxiu Lu and   
                       Ru Jiang   Remark on topological entropy and $
                                  {\mathscr {P}}$-chaos of a coupled
                                  lattice system with non-zero coupling
                                  constant related with
                                  Belusov--Zhabotinskii reaction . . . . . 1110--1116
               Erica Flapan and   
                    Kenji Kozai   Linking number and writhe in random
                                  linear embeddings of graphs  . . . . . . 1117--1133
           Mikhail L. Strekalov   Revival features in wave packet dynamics
                                  of a particle confined in a Morse
                                  potential: the binomial distribution . . 1134--1145
               S. Loghambal and   
        A. J. Agvinos Catherine   Mathematical analysis of the
                                  heterogeneous photo-Fenton oxidation of
                                  acetic acid on structured catalysts  . . 1146--1158
           Ibraheem Alolyan and   
                    T. E. Simos   A family of embedded explicit six-step
                                  methods with vanished phase-lag and its
                                  derivatives for the numerical
                                  integration of the Schrödinger equation:
                                  development and theoretical analysis . . 1159--1186
              Minjian Liang and   
                    T. E. Simos   A new four stages symmetric two-step
                                  method with vanished phase-lag and its
                                  first derivative for the numerical
                                  integration of the Schrödinger equation   1187--1211

Journal of Mathematical Chemistry
Volume 54, Number 6, June, 2016

       Ramon Carbó-Dorca   $N$-dimensional Boolean hypercubes and
                                  the Goldbach Conjecture  . . . . . . . . 1213--1220
        Feliksas Ivanauskas and   
           Pranas Katauskis and   
           Valdas Laurinavicius   Impact of convective transport and inert
                                  membrane on action of the bio-catalytic
                                  filter . . . . . . . . . . . . . . . . . 1221--1232
            Lizeth Carrillo and   
          Jesica A. Escobar and   
          Julio B. Clempner and   
           Alexander S. Poznyak   Optimization problems in chemical
                                  reactions using continuous-time Markov
                                  chains . . . . . . . . . . . . . . . . . 1233--1254
                Pradip Roul and   
                   Ujwal Warbhe   New approach for solving a class of
                                  singular boundary value problem arising
                                  in various physical models . . . . . . . 1255--1285
                Pradip Roul and   
                   Ujwal Warbhe   Erratum to: New approach for solving a
                                  class of singular boundary value problem
                                  arising in various physical models . . . 1286--1286
          P. H. F. Nogueira and   
            A. S. de Castro and   
              D. R. M. Pimentel   A large class of bound-state solutions
                                  of the Schrödinger equation via Laplace
                                  transform of the confluent
                                  hypergeometric equation  . . . . . . . . 1287--1295
               Niko Tratnik and   
         Petra Zigert Pletersek   Distributive lattice structure on the
                                  set of perfect matchings of carbon
                                  nanotubes  . . . . . . . . . . . . . . . 1296--1305
              V. Skakauskas and   
                   P. Katauskis   Numerical study of CO oxidation by
                                  N$_2$O reaction over supported catalysts 1306--1320
Francisco M. Fernández and   
                  Javier Garcia   Unitary transformations of a family of
                                  two-dimensional anharmonic oscillators   1321--1326
Dániel András Drexler and   
       János Tóth   Global controllability of chemical
                                  reactions  . . . . . . . . . . . . . . . 1327--1350

Journal of Mathematical Chemistry
Volume 54, Number 7, August, 2016

            L. Bayón and   
                J. A. Otero and   
        P. M. Suárez and   
                       C. Tasis   Solving linear unbranched pathways with
                                  Michaelis--Menten kinetics using the
                                  Lambert $W$-function . . . . . . . . . . 1351--1369
    Eulalia Martínez and   
              Sukhjit Singh and   
       José L. Hueso and   
            Dharmendra K. Gupta   Local convergence of a family of
                                  iterative methods for Hammerstein
                                  equations  . . . . . . . . . . . . . . . 1370--1386
        Iulia Martina Bulai and   
                 Ezio Venturino   Biodegradation of organic pollutants in
                                  a water body . . . . . . . . . . . . . . 1387--1403
         Ioannis K. Argyros and   
Á. Alberto Magreñán and   
                     Lara Orcos   Local convergence and a chemical
                                  application of derivative free root
                                  finding methods with one parameter based
                                  on interpolation . . . . . . . . . . . . 1404--1416
                Xiaopeng Xi and   
                    T. E. Simos   A new high algebraic order four stages
                                  symmetric two-step method with vanished
                                  phase-lag and its first and second
                                  derivatives for the numerical solution
                                  of the Schrödinger equation and related
                                  problems . . . . . . . . . . . . . . . . 1417--1439
       Ramon Carbó-Dorca   On the nature of the collective quantum
                                  mechanical description of molecular
                                  atoms and bonds  . . . . . . . . . . . . 1440--1446
           Anastasios N. Zachos   The weighted Fermat--Torricelli--Menger
                                  problem for a given sextuple of edge
                                  lengths determining tetrahedra . . . . . 1447--1460
            Dzevad Belki\'c and   
                 Karen Belki\'c   Improving the diagnostic yield of
                                  magnetic resonance spectroscopy for
                                  pediatric brain tumors through
                                  mathematical optimization  . . . . . . . 1461--1513
             Chong H. Leong and   
             Ignacio Porras and   
              Frederick W. King   Analysis of atomic integrals involving
                                  explicit correlation factors for the
                                  three-electron case. I. Connection to
                                  the hypergeometric function $_3 {{\vec
                                  {F}}}_2$ . . . . . . . . . . . . . . . . 1514--1552
       Krishnan Balasubramanian   Combinatorics of Petersen graph and its
                                  compositions for all irreducible
                                  representations for Jahn--Teller,
                                  non-rigid molecules and clusters . . . . 1553--1574

Journal of Mathematical Chemistry
Volume 54, Number 8, September, 2016

               Vesna Andova and   
                Martin Knor and   
               Riste Skrekovski   Distances on nanotubical structures  . . 1575--1584
                    Xun Zhu and   
                    Yuriko Aoki   Development of molecular fragment
                                  interaction method for designing organic
                                  ferromagnets . . . . . . . . . . . . . . 1585--1595
                    A. K. Misra   Effects of aerosols in making artificial
                                  rain: a modeling study . . . . . . . . . 1596--1611
            Matthew D. Johnston   A linear programming approach to
                                  dynamical equivalence, linear conjugacy,
                                  and the Deficiency One Theorem . . . . . 1612--1631
               H. Y. Alfifi and   
             T. R. Marchant and   
                   M. I. Nelson   Non-smooth feedback control for
                                  Belousov--Zhabotinskii
                                  reaction-diffusion equations:
                                  semi-analytical solutions  . . . . . . . 1632--1657
        Attila Gábor and   
          Katalin M. Hangos and   
Gábor Szederkényi   Linear conjugacy in biochemical reaction
                                  networks with rational reaction rates    1658--1676
                   Ian J. Rhile   Expressions for the integrated
                                  probability density for the hydrogen $ 2
                                  s $ and $ 2 p $ orbitals evaluated
                                  within isosurfaces . . . . . . . . . . . 1677--1685
               Susumu Onaka and   
                  Kunio Hayashi   Interpretation of elements of the
                                  logarithm of a rotation matrix as
                                  rotation components around coordinate
                                  axes of a reference frame  . . . . . . . 1686--1695
           Ibraheem Alolyan and   
                    T. E. Simos   A new eight algebraic order embedded
                                  explicit six-step method with vanished
                                  phase-lag and its first, second, third
                                  and fourth derivatives for the numerical
                                  solution of the Schrödinger equation  . . 1696--1727
         Micheal Arockiaraj and   
      S. Ruth Julie Kavitha and   
       Krishnan Balasubramanian   Vertex cut method for degree and
                                  distance-based topological indices and
                                  its applications to silicate networks    1728--1747
                 Helin Gong and   
                Xian'an Jin and   
                     Fuji Zhang   Erratum to: Tutte polynomials for
                                  benzenoid systems with one branched
                                  hexagon  . . . . . . . . . . . . . . . . 1748--1749

Journal of Mathematical Chemistry
Volume 54, Number 9, October, 2016

       Ramon Carbó-Dorca   Time vectors and particle swarms defined
                                  as polyhedra in spherically enfolded
                                  spaces . . . . . . . . . . . . . . . . . 1751--1757
      Vladimir R. Rosenfeld and   
              Thomas E. Nordahl   Semigroup theory of symmetry . . . . . . 1758--1776
            Roman F. Nalewajski   Complex entropy and resultant
                                  information measures . . . . . . . . . . 1777--1782
       Pedro H. F. Nogueira and   
           Antonio S. de Castro   From the generalized Morse potential to
                                  a unified treatment of the
                                  $D$-dimensional singular harmonic
                                  oscillator and singular Coulomb
                                  potentials . . . . . . . . . . . . . . . 1783--1791
                C. Amovilli and   
                    N. H. March   Approaching the $s$-wave model ground
                                  state energy of He-like atomic ions:
                                  results from a model Hamiltonian . . . . 1792--1797
       Ramon Carbó-Dorca   A study on Goldbach conjecture . . . . . 1798--1809
                W. A. Yahya and   
              K. J. Oyewumi and   
                      K. D. Sen   Quantum information entropies for the $
                                  \ell $-state Pöschl--Teller-type
                                  potential  . . . . . . . . . . . . . . . 1810--1821
        Cristiano C. Bastos and   
    Antonio C. Pavão and   
          Eduardo S. G. Leandro   On the quantum mechanics of a particle
                                  constrained to generalized cylinders
                                  with application to Möbius strips . . . . 1822--1834
           Ibraheem Alolyan and   
                    T. E. Simos   A family of two stages tenth algebraic
                                  order symmetric six-step methods with
                                  vanished phase-lag and its first
                                  derivatives for the numerical solution
                                  of the radial Schrödinger equation and
                                  related problems . . . . . . . . . . . . 1835--1862
Roland Tóbiás and   
László L. Stacho and   
                     Gyula Tasi   First-order chemical reaction networks
                                  I: theoretical considerations  . . . . . 1863--1878

Journal of Mathematical Chemistry
Volume 54, Number 10, November, 2016

        György Póta   Solutions defined on finite time
                                  intervals in a model of a real kinetic
                                  system . . . . . . . . . . . . . . . . . 1879--1883
             Tomislav Plesa and   
Tomás Vejchodský and   
                    Radek Erban   Chemical reaction systems with a
                                  homoclinic bifurcation: an inverse
                                  problem  . . . . . . . . . . . . . . . . 1884--1915
              Ganesh Prabhu and   
      Sudeepto Bhattacharya and   
           Michael P. Krein and   
                     N. Sukumar   Investigation of similarity and
                                  diversity threshold networks generated
                                  from diversity-oriented and focused
                                  chemical libraries . . . . . . . . . . . 1916--1941
          A. D. Kirwan, Jr. and   
                  William Seitz   Doppelgänger entropies  . . . . . . . . . 1942--1951
             Maria D. Masia and   
      Manuela Garcia-Moreno and   
   Francisco Garcia-Sevilla and   
            Julio Escribano and   
    Milagros Molina-Alarcon and   
          Maria L. Amo-Saus and   
       Carmen V. Ortiz-Ruiz and   
                    Ramon Varon   A novel transient phase kinetic analysis
                                  of the fractional modification of
                                  monocyclic enzyme cascades . . . . . . . 1952--1972
            M. G. Marmorino and   
                   Voleta Black   Lower bounds to the ground-state
                                  expectation value of non-negative
                                  operators  . . . . . . . . . . . . . . . 1973--1985
             Victor Kuz'min and   
        Lyudmila Ognichenko and   
               Adlen Mouats and   
         Anatoliy Artemenko and   
             Ianina Burdina and   
             Valery Shapkin and   
         Natalia Sizochenko and   
              Jerzy Leszczynski   Efficacy of topological informational
                                  potentials for analysis of nonequivalent
                                  atoms in molecular graphs: the case of
                                  chiral fullerenes  . . . . . . . . . . . 1986--1996
                Wim Hordijk and   
                     Mike Steel   Autocatalytic sets in polymer networks
                                  with variable catalysis distributions    1997--2021
             Grzegorz Mazur and   
            Marcin Makowski and   
                 Roman Lazarski   Boys function evaluation on graphical
                                  processing units . . . . . . . . . . . . 2022--2047
             Hiroyuki Fujii and   
              Shinpei Okawa and   
               Yukio Yamada and   
                 Yoko Hoshi and   
                 Masao Watanabe   Renormalization of the highly
                                  forward-peaked phase function using the
                                  double exponential formula for radiative
                                  transfer . . . . . . . . . . . . . . . . 2048--2061


Journal of Mathematical Chemistry
Volume 55, Number 1, January, 2017

             Xuezhuang Zhao and   
                Jianxia Cui and   
                 Zucheng Li and   
                 Xiufang Xu and   
             Zhenfeng Shang and   
                     Yun Li and   
              Guichang Wang and   
                     Ruifang Li   Symmetries of deoxyribonucleic acid
                                  (DNA) and related molecules  . . . . . . 1--33
           Forrest H. Kaatz and   
           Adhemar Bultheel and   
                   Ottorino Ori   Kinetic Monte Carlo approach to Schottky
                                  defects in noble metal nanoclusters  . . 34--49
                    A. Thilagam   Transition-metal dichalcogenide
                                  heterostructure solar cells: a numerical
                                  study  . . . . . . . . . . . . . . . . . 50--64
           Alexei M. Frolov and   
               David M. Wardlaw   Accurate computations of bound state
                                  properties in three- and four-electron
                                  atomic systems in the basis of
                                  multi-dimensional gaussoids  . . . . . . 65--78
       Ramon Carbó-Dorca   A theorem on the Gram matrix of a
                                  polyhedron . . . . . . . . . . . . . . . 79--97
                 Katsuhisa Ohta   Gauging away the electron-electron
                                  interaction by the local phase of
                                  complex wave functions in two-electron
                                  systems  . . . . . . . . . . . . . . . . 98--104
           Ibraheem Alolyan and   
                    T. E. Simos   A new two stages tenth algebraic order
                                  symmetric six-step method with vanished
                                  phase-lag and its first and second
                                  derivatives for the solution of the
                                  radial Schrödinger equation and related
                                  problems . . . . . . . . . . . . . . . . 105--131
             Xiaoling Zhang and   
                     Kecai Deng   Enumeration of Möbius type cyclic
                                  polyazulenoids . . . . . . . . . . . . . 132--141
       Mikhail G. Tokmachev and   
      Nikolai B. Ferapontov and   
            Alexandr N. Gagarin   Analysis of the swelling or shrinking
                                  kinetics of crosslinked hydrophilic
                                  polymers by mathematical modeling  . . . 142--152
Jorge E. Macías-Díaz and   
Iliana E. Medina-Ramírez and   
Axel Chávez-Guzmán   A compact exponential method for the
                                  efficient numerical simulation of the
                                  dewetting process of viscous thin films  153--174
Cosar Gözükirmizi and   
         Melike Ebru Kirkin and   
                 Metin Demiralp   Probabilistic evolution theory for the
                                  solution of explicit autonomous ordinary
                                  differential equations: squarified
                                  telescope matrices . . . . . . . . . . . 175--194
       Krishnan Balasubramanian   Nested wreath groups and their
                                  applications to phylogeny in biology and
                                  Cayley trees in chemistry and physics    195--222
               Yanwei Zhang and   
                  Xiong You and   
                   Yonglei Fang   Exponentially fitted multi-derivative
                                  linear methods for the resonant state of
                                  the Schrödinger equation  . . . . . . . . 223--237
              Ruqiang Zhang and   
              Wenjuan Jiang and   
        Julius Osato Ehigie and   
               Yonglei Fang and   
                      Xiong You   Novel phase-fitted symmetric splitting
                                  methods for chemical oscillators . . . . 238--258
               Yanping Yang and   
                  Xiong You and   
                   Yonglei Fang   Runge--Kutta--Nyström methods with
                                  equation dependent coefficients and
                                  reduced phase lag for oscillatory
                                  problems . . . . . . . . . . . . . . . . 259--277
                 Genyuan Li and   
                    Xi Xing and   
              William Welsh and   
                Herschel Rabitz   High dimensional model representation
                                  constructed by support vector
                                  regression. I. Independent variables
                                  with known probability distributions . . 278--303
            Dzevad Belki\'c and   
                 Karen Belki\'c   Iterative averaging of spectra as a
                                  powerful way of suppressing spurious
                                  resonances in signal processing  . . . . 304--348
            Dzevad Belki\'c and   
                 Karen Belki\'c   In vivo magnetic resonance spectroscopy
                                  for ovarian cancer diagnostics:
                                  quantification by the fast Padé transform 349--405

Journal of Mathematical Chemistry
Volume 55, Number 2, February, 2017

           Mikhail L. Strekalov   The perfect revival time of localized
                                  wave packet consisting of superposition
                                  of bound states with an arbitrary energy
                                  spectrum . . . . . . . . . . . . . . . . 407--412
          Bernie D. Shizgal and   
                Nicholas Ho and   
                   Xingwei Yang   The computation of radial integrals with
                                  nonclassical quadratures for quantum
                                  chemistry and other applications . . . . 413--422
           William A. Alexander   Performance of a rigid rod statistical
                                  mechanical treatment to predict
                                  monolayer ordering: a study of chain
                                  interactions and comparison with
                                  molecular dynamics simulation  . . . . . 423--435
                   Jan Turulski   Dimension of the Gibbs function
                                  topological manifold: 3. Configuration
                                  entropy determined by the isotopic
                                  composition of binary quasicrystals  . . 436--454
    Evrim Korkmaz Özay and   
                 Metin Demiralp   Weighted tridiagonal matrix enhanced
                                  multivariance products representation
                                  (WTMEMPR) for decomposition of multiway
                                  arrays: applications on certain chemical
                                  system data sets . . . . . . . . . . . . 455--476
                   Josef Paldus   Externally and internally corrected
                                  coupled cluster approaches: an overview  477--502
           Ibraheem Alolyan and   
                    T. E. Simos   New two stages high order symmetric
                                  six-step method with vanished phase-lag
                                  and its first, second and third
                                  derivatives for the numerical solution
                                  of the Schrödinger equation . . . . . . . 503--531
                Hirohiko Houjou   Modelling intra- and intermolecular
                                  vibrations under the harmonic oscillator
                                  approximation: from symmetry-adapted to
                                  coarse-grained coordinate approaches . . 532--551
                  G. Milani and   
                      F. Milani   Closed form numerical approach for a
                                  kinetic interpretation of high-cis
                                  polybutadiene rubber vulcanization with
                                  sulphur  . . . . . . . . . . . . . . . . 552--583
           James Emil Avery and   
              John Scales Avery   A chainlike relative coordinate system
                                  for few-particle problems  . . . . . . . 584--597
                  Marcin Molski   Exact solutions and coherent states for
                                  a generalized potential  . . . . . . . . 598--606
                 S. Gluzman and   
                  V. I. Yukalov   Additive self-similar approximants . . . 607--622
Francisco M. Fernández and   
                  Javier Garcia   On two different kinds of resonances in
                                  one-dimensional quantum-mechanical
                                  models . . . . . . . . . . . . . . . . . 623--631
               Xiaopeng Luo and   
                     Xin Xu and   
                Herschel Rabitz   On the fundamental conjecture of HDMR: a
                                  Fourier analysis approach  . . . . . . . 632--660
              B. A. Mamedov and   
                     E. Somuncu   Analytical evaluation of zero-pressure
                                  Joule--Thomson coefficient using second
                                  virial coefficient and its application   661--672
               R. C. Mittal and   
                   Rajni Rohila   A study of one dimensional nonlinear
                                  diffusion equations by Bernstein
                                  polynomial based differential quadrature
                                  method . . . . . . . . . . . . . . . . . 673--695

Journal of Mathematical Chemistry
Volume 55, Number 3, March, 2017

               Jianbin Zhao and   
                    T. E. Simos   A new fourteenth algebraic order finite
                                  difference method for the approximate
                                  solution of the Schrödinger equation  . . 697--716
                Zhiwei Wang and   
                    T. E. Simos   An economical eighth-order method for
                                  the approximation of the solution of the
                                  Schrödinger equation  . . . . . . . . . . 717--733
                   Malik Mamode   Computation of the Madelung constant for
                                  hypercubic crystal structures in any
                                  dimension  . . . . . . . . . . . . . . . 734--751
          Michel-Marie Deza and   
       Mathieu Dutour Sikiri\'c   Lego-like spheres and tori . . . . . . . 752--798
             Abdul-Majid Wazwaz   The variational iteration method for
                                  solving systems of third-order
                                  Emden--Fowler type equations . . . . . . 799--817
                  Debojyoti Das   Turing pattern formation in anisotropic
                                  medium . . . . . . . . . . . . . . . . . 818--831
             Gábor Lente   Analytical solutions for the rate
                                  equations of irreversible two-step
                                  consecutive processes with mixed second
                                  order later steps  . . . . . . . . . . . 832--848
               Shahid Imran and   
           Muhammad Hussain and   
   Muhammad Kamran Siddiqui and   
                 Muhammad Numan   Super face $d$-antimagic labeling for
                                  disjoint union of toroidal fullerenes    849--863
                Eun Ji Jang and   
              Young Kyu Lee and   
                 Won Sang Chung   A quantum particle in a moving finite
                                  harmonic potential . . . . . . . . . . . 864--872
               Yuan-Jia Fan and   
                    Bih-Yaw Jin   From the ``Brazuca'' ball to octahedral
                                  fullerenes: their construction and
                                  classification . . . . . . . . . . . . . 873--886
                Sandip Saha and   
            Gautam Gangopadhyay   Isochronicity and limit cycle
                                  oscillation in chemical systems  . . . . 887--910

Journal of Mathematical Chemistry
Volume 55, Number 4, April, 2017

               S. Nadarajah and   
                         J. Chu   On moments of powers of the Hulthén
                                  density  . . . . . . . . . . . . . . . . 911--913
       Ramon Carbó-Dorca   Natural Vector Spaces (inward power and
                                  Minkowski norm of a Natural Vector,
                                  Natural Boolean Hypercubes) and a
                                  Fermat's Last Theorem conjecture . . . . 914--940
      Mikhail V. Basilevsky and   
         Ekaterina A. Bormotova   Charge transfer kinetics in non-polar
                                  media including a local molecular mode:
                                  the temperature dependence in wide
                                  ranges . . . . . . . . . . . . . . . . . 941--960
          Maxim A. Medvedev and   
                    T. E. Simos   Two stages six-step method with
                                  eliminated phase-lag and its first,
                                  second, third and fourth derivatives for
                                  the approximation of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 961--986
            Dmitriy B. Berg and   
                    T. E. Simos   High order computationally economical
                                  six-step method with vanished phase-lag
                                  and its derivatives for the numerical
                                  solution of the Schrödinger equation  . . 987--1013
           Mircea V. Diudea and   
          Vladimir R. Rosenfeld   The truncation of a cage graph . . . . . 1014--1020
                Ernesto Estrada   The ABC Matrix . . . . . . . . . . . . . 1021--1033
                      Chuang Xu   Threshold dynamics of a stochastic
                                  Keizer's model with stochastic incidence 1034--1045
          J. P. Killingbeck and   
                    A. Lakhlifi   Accurate numerical JWKB calculations for
                                  the quartic oscillator . . . . . . . . . 1046--1052
                  Dewen Cao and   
              Yaoxiong Wang and   
                 Shouzhi Li and   
                  Ling Yang and   
                Feng Shuang and   
                       Fang Gao   Optimal control of multiple two-photon
                                  transitions  . . . . . . . . . . . . . . 1053--1066

Journal of Mathematical Chemistry
Volume 55, Number 5, May, 2017

            Dzevad Belki\'c and   
                 Karen Belki\'c   Synergism of spectra averaging and
                                  extrapolation for quantification of in
                                  vivo MRS time signals encoded from the
                                  ovary  . . . . . . . . . . . . . . . . . 1067--1109
            Dzevad Belki\'c and   
                 Karen Belki\'c   Encoded in vivo time signals from the
                                  ovary in magnetic resonance
                                  spectroscopy: poles and zeros as the
                                  cornerstone for stability of response
                                  functions of systems to external
                                  perturbations  . . . . . . . . . . . . . 1110--1157
                F. M. Gomes and   
      J. M. Martínez and   
                      M. Raydan   On the computation of large-scale
                                  self-consistent-field iterations . . . . 1158--1172
               Ningjiu Zhao and   
                     Yufang Liu   Quasi-classical trajectory insight into
                                  stereodynamics for reaction He $+$
                                  D$_2^+$ $ \rightarrow $ HeD$^+$ $+$ D
                                  with the improved potential energy
                                  surface  . . . . . . . . . . . . . . . . 1173--1186
                   Z. Huang and   
                H. S. Sidhu and   
               I. N. Towers and   
               Z. Jovanoski and   
                 V. V. Gubernov   Properties of combustion waves in a
                                  model with competitive exothermic
                                  reactions  . . . . . . . . . . . . . . . 1187--1201
           Seyhmus Yardimci and   
             Esra Kir Arpat and   
               Çagla Can   On the structure of discrete spectrum of
                                  a non-selfadjoint system of differential
                                  equations with integral boundary
                                  condition  . . . . . . . . . . . . . . . 1202--1212
            Dmitriy B. Berg and   
                    T. E. Simos   Three stages symmetric six-step method
                                  with eliminated phase-lag and its
                                  derivatives for the solution of the
                                  Schrödinger equation  . . . . . . . . . . 1213--1235
           M. V. Basilevsky and   
                  A. I. Voronin   The mass renormalization for the
                                  translational Brownian motion  . . . . . 1236--1252

Journal of Mathematical Chemistry
Volume 55, Number 6, June, 2017

             Metin Demiralp and   
                 Süha Tuna   Zero interval limit perturbation
                                  expansion for the spectral entities of
                                  Hilbert--Schmidt operators combined with
                                  most dominant spectral component
                                  extraction: formulation and certain
                                  technicalities . . . . . . . . . . . . . 1253--1277
             Süha Tuna and   
                 Metin Demiralp   Zero interval limit perturbation
                                  expansion for the spectral entities of
                                  Hilbert--Schmidt operators combined with
                                  most dominant spectral component
                                  extraction: convergence and confirmative
                                  implementations  . . . . . . . . . . . . 1278--1300
                     Nan Lu and   
                 Yuxiang Bu and   
                     Guimei Luo   Cu-wire-mediated dipyrimidine base pairs
                                  as the building blocks for conductive
                                  and magnetic Cu--DNA nanowires . . . . . 1301--1321
               Yu-Hsin Chen and   
                  Sheng D. Chao   The kinetic energy partition method
                                  applied to quantum eigenvalue problems
                                  with many harmonic-oscillator potentials 1322--1341
              F. C. Minuzzi and   
                 C. Bublitz and   
               A. L. De Bortoli   Development of a reduced mechanism for
                                  ethanol using directed relation graph
                                  and sensitivity analysis . . . . . . . . 1342--1359
           Hiroshi Sakiyama and   
                  Katsushi Waki   Enumeration of conformers for octahedral
                                  [MX(AB)$_5$] and [MX(ABC)$_5$] complexes
                                  on the basis of computational group
                                  theory . . . . . . . . . . . . . . . . . 1360--1366

Journal of Mathematical Chemistry
Volume 55, Number 7, August, 2017

   Jesús Vigo-Aguiar and   
                  Higinio Ramos   Recent mathematical--computational
                                  techniques and models in chemistry . . . 1367--1369
              Florent Calvo and   
                Ersin Yurtsever   Coating of C$_{60}$ by para-H$_2$ and
                                  ortho-D$_2$: revisiting the solvation
                                  shell  . . . . . . . . . . . . . . . . . 1370--1375
   Juan C. Hernández and   
José M. Rodríguez and   
       José M. Sigarreta   On the geometric--arithmetic index by
                                  decompositions . . . . . . . . . . . . . 1376--1391
              I. K. Argyros and   
             J. A. Ezquerro and   
M. A. Hernández-Verón and   
Á. A. Magreñán   Convergence of Newton's method under
                                  Vertgeim conditions: new extensions
                                  using restricted convergence domains . . 1392--1406
                   P. Senel and   
                M. Tezer-Sezgin   DRBEM solution of biomagnetic fluid flow
                                  and heat transfer in cavities  . . . . . 1407--1426
              I. K. Argyros and   
Á. A. Magreñán and   
                   L. Orcos and   
                  J. A. Sicilia   Local convergence of a relaxed two-step
                                  Newton like method with applications . . 1427--1442
             Alicia Cordero and   
         Juan R. Torregrosa and   
      María P. Vassileva   A family of parametric schemes of
                                  arbitrary even order for solving
                                  nonlinear models . . . . . . . . . . . . 1443--1460
             Alicia Cordero and   
     Javier G. Maimó and   
         Juan R. Torregrosa and   
      María P. Vassileva   Multidimensional stability analysis of a
                                  family of biparametric iterative methods 1461--1480
        Iulia Martina Bulai and   
                 Ezio Venturino   Two mathematical models for dissolved
                                  oxygen in a lake . . . . . . . . . . . . 1481--1504
Á. Alberto Magreñán and   
         Ioannis K. Argyros and   
           Juan Antonio Sicilia   New improved convergence analysis for
                                  Newton-like methods with applications    1505--1520

Journal of Mathematical Chemistry
Volume 55, Number 8, September, 2017

            Dmitriy B. Berg and   
                    T. E. Simos   An efficient six-step method for the
                                  solution of the Schrödinger equation  . . 1521--1547
                  Joseph Dillon   On the origins of intersecting potential
                                  energy surfaces  . . . . . . . . . . . . 1548--1588
         Guillermo Restrepo and   
                  Peter Willett   The \booktitleJournal of Mathematical
                                  Chemistry: a bibliometric profile  . . . 1589--1596
                     Min Ke and   
                    Shan Wu and   
                   Chuanhou Gao   Realizations of quasi-polynomial systems
                                  and application for stability analysis   1597--1621
                   Niko Tratnik   The Graovac--Pisanski index of zig-zag
                                  tubulenes and the generalized cut method 1622--1637
           Karl-Erik Thylwe and   
                 Patrick McCabe   Near/far-side angular decompositions of
                                  Legendre polynomials using the
                                  amplitude--phase method  . . . . . . . . 1638--1648
                    Jing Ma and   
                    T. E. Simos   An efficient and computational effective
                                  method for second order problems . . . . 1649--1668
               Nino Basi\'c and   
           Gunnar Brinkmann and   
          Patrick W. Fowler and   
             Tomaz Pisanski and   
              Nico Van Cleemput   Sizes of pentagonal clusters in
                                  fullerenes . . . . . . . . . . . . . . . 1669--1682
                G. V. Belov and   
             N. M. Aristova and   
              I. V. Morozov and   
                   M. A. Sineva   On approximation of the heat capacity of
                                  substances in the gaseous state  . . . . 1683--1697
            Dzevad Belki\'c and   
                 Karen Belki\'c   Visualizing hidden components of
                                  envelopes non-parametrically in magnetic
                                  resonance spectroscopy: Phosphocholine,
                                  a breast cancer biomarker  . . . . . . . 1698--1723

Journal of Mathematical Chemistry
Volume 55, Number 9, October, 2017

                Xiaoxuan Wu and   
                 Tasso J. Kaper   Analysis of the approximate slow
                                  invariant manifold method for reactive
                                  flow equations . . . . . . . . . . . . . 1725--1754
                   Lan Yang and   
                    T. E. Simos   An efficient and economical high order
                                  method for the numerical approximation
                                  of the Schrödinger equation . . . . . . . 1755--1778
Liana Fanurovna Nurislamova and   
     Irek Marsovich Gubaydullin   Mechanism reduction of chemical reaction
                                  based on sensitivity analysis:
                                  development and testing of some new
                                  procedure  . . . . . . . . . . . . . . . 1779--1792
            Les\law K. Bieniasz   A specialised cyclic reduction algorithm
                                  for linear algebraic equation systems
                                  with quasi-tridiagonal matrices  . . . . 1793--1807
                  A. Konguetsof   A generator of families of two-step
                                  numerical methods with free parameters
                                  and minimal phase-lag  . . . . . . . . . 1808--1832
              Saranah Selmi and   
            Dan J. Mitchell and   
    Valipuram S. Manoranjan and   
        Nikolaos K. Voulgarakis   A hybrid fluctuating hydrodynamics and
                                  kinetic Monte Carlo method for modeling
                                  chemically-powered nanoscale motion  . . 1833--1848
                   E. Sahin and   
                 T. Ozdogan and   
                       M. Orbay   On the effectiveness of exponential type
                                  orbitals with hyperbolic cosine
                                  functions in atomic calculations . . . . 1849--1856
         Roxana-Diana Pasca and   
             Atena Moldovan and   
              Ossi Horovitz and   
                Alexandru Lupan   Thermodynamic investigation of
                                  tautomerism in triazine oximes . . . . . 1857--1868
   Ramon Carbó-Dorca and   
  Camelia Muñoz-Caro and   
        Alfonso Niño and   
         Sebastián Reyes   Refinement of a generalized Fermat's
                                  last theorem conjecture in natural
                                  vector spaces  . . . . . . . . . . . . . 1869--1877
               Chuanqi Xiao and   
                Haiyan Chen and   
                         Lu Liu   Perfect matchings in random pentagonal
                                  chains . . . . . . . . . . . . . . . . . 1878--1886
              Senja Barthel and   
                   Dorothy Buck   Erratum to: Toroidal embeddings of
                                  abstractly planar graphs are knotted or
                                  linked . . . . . . . . . . . . . . . . . 1887--1887

Journal of Mathematical Chemistry
Volume 55, Number 10, November, 2017

          Andrés Cedillo   Comment on ``Localization-delocalization
                                  phenomena in a cyclic box'' by H. H.
                                  Corzo, H. G. Laguna, and R. P. Sagar . . 1889--1892
          Miros\law Kwiatkowski   Analysis of the microporous structure of
                                  the low-cost activated carbon fibres
                                  obtained from flax and jute cloth  . . . 1893--1902
                 Aihua Tang and   
              Guangzhong Hu and   
                       Ming Liu   Mechanical degradation of electrode
                                  materials within single particle model
                                  in Li-ion batteries for electric
                                  vehicles . . . . . . . . . . . . . . . . 1903--1915
        Rijaul Haque Mirdha and   
               Pinaki Chaudhury   Constructing a bunch of paths for
                                  conformational changes in size specific
                                  noble gas cluster: a study using a
                                  stochastic procedure . . . . . . . . . . 1916--1933
                Ivan Gutman and   
        Slavko Radenkovi\'c and   
     Sladana \Dbarordevi\'c and   
      Igor Z. Milovanovi\'c and   
         Emina I. Milovanovi\'c   Extending the McClelland formula for
                                  total $ \pi $-electron energy  . . . . . 1934--1940
          Vladimir R. Rosenfeld   The toroidal unit cell of a quasicrystal 1941--1950
       Satrya Fajri Pratama and   
          Azah Kamilah Muda and   
              Yun-Huoy Choo and   
                Jan Flusser and   
                  Ajith Abraham   ATS drugs molecular structure
                                  representation using refined $3$D
                                  geometric moment invariants  . . . . . . 1951--1963
José Zúñiga and   
             Adolfo Bastida and   
                Alberto Requena   Quantum solution of coupled harmonic
                                  oscillator systems beyond normal
                                  coordinates  . . . . . . . . . . . . . . 1964--1984
Caio César Ferreira Florindo and   
        Christina Papenfuss and   
Adalberto Bono Maurizio Sacchi Bassi   Mesoscopic continuum thermodynamics for
                                  mixtures of particles with orientation   1985--2003
            Dzevad Belki\'c and   
                 Karen Belki\'c   Robust identification of the cancer
                                  biomarker phosphocholine through
                                  partitioned envelopes in noisy magnetic
                                  resonance spectroscopic data by the
                                  non-parametric fast Padé transform  . . . 2004--2047


Journal of Mathematical Chemistry
Volume 56, Number 1, January, 2018

          Maxim A. Medvedev and   
                    T. E. Simos   A multistep method with optimal
                                  properties for second order differential
                                  equations  . . . . . . . . . . . . . . . 1--29
              Fatma Mohamed and   
              Casian Pantea and   
               Adrian Tudorascu   Chemical reaction-diffusion networks:
                                  convergence of the method of lines . . . 30--68
              Sandi Klavzar and   
            M. J. Nadjafi-Arani   Partition distance in graphs . . . . . . 69--80
    Vladislav N. Kovalnogov and   
          Ruslan V. Fedorov and   
        Viktor M. Golovanov and   
         Boris M. Kostishko and   
                    T. E. Simos   A four stages numerical pair with
                                  optimal phase and stability properties   81--102
          Russell Thackston and   
            Ryan C. Fortenberry   An efficient algorithm for the
                                  determination of force constants and
                                  displacements in numerical definitions
                                  of a large, general order Taylor series
                                  expansion  . . . . . . . . . . . . . . . 103--119
                Marco Campo and   
José R. Fernández and   
María del Carmen Muñiz and   
   Cristina Núñez   Numerical analysis of a dynamic problem
                                  involving bulk-surface surfactants . . . 120--139
                    Ivan Kryven   Analytic results on the polymerisation
                                  random graph model . . . . . . . . . . . 140--157
                   Yue Chan and   
                 Bisheng Wu and   
                   Yong Ren and   
                      Liang Xia   Analytical solution for Newtonian flow
                                  inside carbon nanotube taking into
                                  consideration van der Waals forces . . . 158--169
                     Ke Yan and   
                    T. E. Simos   A finite difference pair with improved
                                  phase and stability properties . . . . . 170--192
                   Gil Alon and   
                Inbal Tuvi-Arad   Improved algorithms for symmetry
                                  analysis: structure preserving
                                  permutations . . . . . . . . . . . . . . 193--212
                     Karl Wirth   Determining the metric and the symmetry
                                  group of finite point sets in space with
                                  an application to cyclohexane  . . . . . 213--231
             Randheer Singh and   
                        J. Jena   On evolution of non-linear waves in
                                  polytropic reacting gases  . . . . . . . 232--246
                    Ji-Teng Jia   Numerical algorithms for the determinant
                                  evaluation of general Hessenberg
                                  matrices . . . . . . . . . . . . . . . . 247--256
                  Yuanlu Li and   
                      Min Jiang   Spatial-fractional order diffusion
                                  filtering  . . . . . . . . . . . . . . . 257--267
            Dzevad Belki\'c and   
                 Karen Belki\'c   Exact quantification by the
                                  nonparametric fast Padé transform using
                                  only shape estimation of high-order
                                  derivatives of envelopes . . . . . . . . 268--314
                   E. Sahin and   
                 T. Ozdogan and   
                       M. Orbay   Correction to: On the effectiveness of
                                  exponential type orbitals with
                                  hyperbolic cosine functions in atomic
                                  calculations . . . . . . . . . . . . . . 315--315

Journal of Mathematical Chemistry
Volume 56, Number 2, February, 2018

       André Liemert and   
                   Alwin Kienle   Fractional radiative transport in the
                                  diffusion approximation  . . . . . . . . 317--335
         Mark Jayson Cortez and   
             Allen Nazareno and   
                Eduardo Mendoza   A computational approach to linear
                                  conjugacy in a class of power law
                                  kinetic systems  . . . . . . . . . . . . 336--357
Dylan Antonio S. J. Talabis and   
  Carlene Perpetua P. Arceo and   
             Eduardo R. Mendoza   Positive equilibria of a class of
                                  power-law kinetics . . . . . . . . . . . 358--394
  Carlene Perpetua P. Arceo and   
             Editha C. Jose and   
             Angelyn R. Lao and   
             Eduardo R. Mendoza   Reactant subspaces and kinetics of
                                  chemical reaction networks . . . . . . . 395--422
                   Jie Fang and   
              Chenglian Liu and   
                    T. E. Simos   A hybrid finite difference pair with
                                  maximum phase and stability properties   423--448
                Junfeng Yao and   
                    T. E. Simos   New finite difference pair with
                                  optimized phase and stability properties 449--476
              Tyler Cassidy and   
          Philippe Gaudreau and   
                 Hassan Safouhi   On the Computation of Eigenvalues of the
                                  Anharmonic Coulombic Potential . . . . . 477--492
       Vladimir I. Pupyshev and   
          H. E. Montgomery, Jr.   Monotonicity in confined system problems 493--507
                     R. Murugan   Theory on the rate equation of
                                  Michaelis--Menten type single-substrate
                                  enzyme catalyzed reactions . . . . . . . 508--556
  Francisco M. Fernández   On the symmetry of four particles in a
                                  one-dimensional box with harmonic
                                  interaction  . . . . . . . . . . . . . . 557--567
              Xiu-Mei Zhang and   
                 Yu-Qin Sun and   
                   Hua Wang and   
                Xiao-Dong Zhang   On the ABC index of connected graphs
                                  with given degree sequences  . . . . . . 568--582
                Gani Stamov and   
                 Ivanka Stamova   On almost periodic processes in
                                  impulsive fractional-order competitive
                                  systems  . . . . . . . . . . . . . . . . 583--596
Erika R. Bérczi-Kovács and   
          Attila Bernáth   The complexity of the Clar number
                                  problem and an exact algorithm . . . . . 597--605
           Michitaka Furuya and   
           Masanori Takatou and   
               Shoichi Tsuchiya   Distance-restricted matching
                                  extendability of fullerene graphs  . . . 606--617
                   E. Camby and   
               G. Caporossi and   
             M. H. M. Paiva and   
               M. E. V. Segatto   Expected distance based on random walks  618--629
           Alexei M. Frolov and   
               David M. Wardlaw   Bremsstrahlung from few-electron ions    630--649

Journal of Mathematical Chemistry
Volume 56, Number 3, March, 2018

         Michael J. Bucknum and   
              Eduardo A. Castro   Sommerfeld's fine structure constant
                                  approximated as a series representation
                                  in $e$ and $ \pi $ . . . . . . . . . . . 651--655
            Dmitriy B. Berg and   
                    T. E. Simos   A new multistep finite difference pair
                                  for the Schrödinger equation and related
                                  problems . . . . . . . . . . . . . . . . 656--686
L. E. Ayala-Hernández and   
           Armando Gallegos and   
J. E. Macías-Díaz and   
M. L. Miranda-Beltrán and   
     H. Vargas-Rodríguez   A mathematical model for the
                                  pre-diagnostic of glioma growth based on
                                  blood glucose levels . . . . . . . . . . 687--699
                 N. A. Tikhonov   Mathematical modeling of solution
                                  deionization by sorption on aerogel
                                  electrodes . . . . . . . . . . . . . . . 700--712
                  Xin Huang and   
                Yi-Ping Luo and   
               Qing-Song Xu and   
                  Yi-Zeng Liang   Incorporating variable importance into
                                  kernel PLS for modeling the
                                  structure-activity relationship  . . . . 713--727
      Mikhail V. Basilevsky and   
                Sergey V. Titov   The charge-carrier mobility in
                                  disordered organic materials: the
                                  long-range one-dimensional diffusion
                                  with the memory effect . . . . . . . . . 728--746
       Zeynep Gündogar and   
                 Metin Demiralp   Block tridiagonal matrix enhanced
                                  multivariance products representation
                                  (BTMEMPR)  . . . . . . . . . . . . . . . 747--769
               Jinbin Zheng and   
              Chenglian Liu and   
                    T. E. Simos   A new two-step finite difference pair
                                  with optimal properties  . . . . . . . . 770--798
               Yanping Yang and   
               Yonglei Fang and   
                      Xiong You   Modified two-derivative Runge--Kutta
                                  methods for the Schrödinger equation  . . 799--812
                 Katsuhisa Ohta   Constraints in the variational principle
                                  for stationary states  . . . . . . . . . 813--824
          Richard Olu Awonusika   Special function representations of the
                                  Poisson kernel on hyperbolic spaces  . . 825--849
                   Jan Turulski   Binary self-similar chemical structures  850--863
     É. Valkó and   
                   T. Varga and   
               A. S. Tomlin and   
            Á. Busai and   
              T. Turányi   Investigation of the effect of
                                  correlated uncertain rate parameters via
                                  the calculation of global and local
                                  sensitivity indices  . . . . . . . . . . 864--889
           Mikhail L. Strekalov   Quantum tunneling in an exactly solvable
                                  double-barrier potential: barrier
                                  transmission near the zero energy  . . . 890--903
                      Qamar Din   Bifurcation analysis and chaos control
                                  in discrete-time glycolysis models . . . 904--931
            Dzevad Belki\'c and   
                 Karen Belki\'c   Explicit extraction of absorption peak
                                  positions, widths and heights using
                                  higher order derivatives of total shape
                                  spectra by nonparametric processing of
                                  time signals as complex damped
                                  multi-exponentials . . . . . . . . . . . 932--977

Journal of Mathematical Chemistry
Volume 56, Number 4, April, 2018

       Ramon Carbó-Dorca   Thermal scaling of electronic energy
                                  expressions  . . . . . . . . . . . . . . 979--981
                    Xin Shi and   
                    T. E. Simos   New five-stages finite difference pair
                                  with optimized phase properties  . . . . 982--1010
Felipe A. Díaz-Alvarado and   
 Jenny Miranda-Pérez and   
           Ignacio E. Grossmann   Search for reaction pathways with
                                  P-graphs and reaction blocks:
                                  methanation of carbon dioxide with
                                  hydrogen . . . . . . . . . . . . . . . . 1011--1102
               Niko Tratnik and   
         Petra Zigert Pletersek   The Graovac--Pisanski index of armchair
                                  tubulenes  . . . . . . . . . . . . . . . 1103--1116
                 Shiwei Liu and   
                 Juan Zheng and   
               Yonglei Fang and   
                      Xiong You   An adapted explicit hybrid four-step
                                  method for the numerical solution of
                                  perturbed oscillators  . . . . . . . . . 1117--1129
        Julius Osato Ehigie and   
                Dongxu Diao and   
              Ruqiang Zhang and   
               Yonglei Fang and   
                  Xilin Hou and   
                      Xiong You   Exponentially fitted symmetric and
                                  symplectic DIRK methods for oscillatory
                                  Hamiltonian systems  . . . . . . . . . . 1130--1152
             Sebastian Kram and   
    Maximilian Schäfer and   
              Rudolf Rabenstein   Approximation of enzyme kinetics for
                                  high enzyme concentration by a first
                                  order perturbation approach  . . . . . . 1153--1183
              Jan C. Myland and   
                Keith B. Oldham   Jacobian elliptic functions describe the
                                  properties of the diffuse charge region
                                  in narrow electrochemical cells  . . . . 1184--1205
          Maxim A. Medvedev and   
                    T. E. Simos   A new six-step algorithm with improved
                                  properties for the numerical solution of
                                  second order initial and/or boundary
                                  value problems . . . . . . . . . . . . . 1206--1233
               Xiaoyu Jiang and   
                   Kicheon Hong   Explicit form of determinants and
                                  inverse matrices of Tribonacci
                                  $r$-circulant type matrices  . . . . . . 1234--1249
               Yanwei Zhang and   
               Yonglei Fang and   
                  Xiong You and   
                    Guangde Liu   Trigonometrically-fitted
                                  multi-derivative linear methods for the
                                  resonant state of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1250--1261
               Qingyuan Xia and   
                        Hui Liu   A theoretical method for obtaining Padé
                                  type approximation to temperature
                                  integrals via the Stieltjes integral . . 1262--1279
          Maxim A. Medvedev and   
                    T. E. Simos   A new three-stages six-step finite
                                  difference pair with optimal phase
                                  properties for second order initial
                                  and/or boundary value problems with
                                  periodical and/or oscillating solutions  1280--1312
              Chenglian Liu and   
                    T. E. Simos   A five-stages symmetric method with
                                  improved phase properties  . . . . . . . 1313--1338
                 Wolfgang Quapp   A minimal $2$D model of the free energy
                                  surface for a unidirectional natural
                                  molecular motor  . . . . . . . . . . . . 1339--1347

Journal of Mathematical Chemistry
Volume 56, Number 5, May, 2018

       Ramon Carbó-Dorca   Boolean Hypercubes as time
                                  representation holders . . . . . . . . . 1349--1352
       Ramon Carbó-Dorca   DNA, unnatural base pairs and hypercubes 1353--1356
       Ramon Carbó-Dorca   Atomic thermal voltage population
                                  distributions  . . . . . . . . . . . . . 1357--1359
         Michael J. Bucknum and   
              Eduardo A. Castro   Approximation of the electron-proton
                                  mass ratio as a series in powers of $
                                  \pi $  . . . . . . . . . . . . . . . . . 1360--1364
   Margherita Maria Ferrari and   
                  Anna Cook and   
             Alana Houlihan and   
            Rebecca Rouleau and   
          Nadrian C. Seeman and   
             Greta Pangborn and   
          Joanna Ellis-Monaghan   Design formalism for DNA self-assembly
                                  of polyhedral skeletons using rigid
                                  tiles  . . . . . . . . . . . . . . . . . 1365--1392
            Johanna Langner and   
                Henryk A. Witek   Algorithm for generating generalized
                                  resonance structures of single zigzag
                                  chains based on interface theory . . . . 1393--1406
                 Don Mackay and   
              Jan C. Myland and   
            Keith B. Oldham and   
                 J. Mark Parnis   Pitfalls in the application of
                                  statistics to chemical data: the
                                  determination of the partition ratio $
                                  K_{\rm ow} $ as a case in point  . . . . 1407--1427
               Thomas Perez and   
       Patrick Cassam-Chena\"\i   Generalization of the concepts of
                                  seniority number and ionicity  . . . . . 1428--1436
               Gunnar Brinkmann   Computing the maximal canonical form for
                                  trees in polynomial time . . . . . . . . 1437--1444
              Ion Mitxelena and   
                    Mario Piris   Analytic second-order energy derivatives
                                  in natural orbital functional theory . . 1445--1455
              Ch. Tsitouras and   
                 I. Th. Famelis   A new eighth order exponentially fitted
                                  explicit Numerov-type method for solving
                                  oscillatory problems . . . . . . . . . . 1456--1466
       Pradumn Kumar Pandey and   
            Bibhas Adhikari and   
            Jayanta Chakraborty   Interpreting nucleation as a network
                                  formation process  . . . . . . . . . . . 1467--1480
               Yingying Gao and   
                Enqiang Zhu and   
                 Zehui Shao and   
                Ivan Gutman and   
           Antoaneta Klobu\vcar   Total domination and open packing in
                                  some chemical graphs . . . . . . . . . . 1481--1492
         Micheal Arockiaraj and   
      S. Ruth Julie Kavitha and   
   Krishnan Balasubramanian and   
                    Ivan Gutman   Hyper-Wiener and Wiener polarity indices
                                  of silicate and oxide frameworks . . . . 1493--1510

Journal of Mathematical Chemistry
Volume 56, Number 6, June, 2018

  Francisco M. Fernández   Comment on: ''The kinetic energy
                                  partition method applied to quantum
                                  eigenvalue problems with many
                                  harmonic-oscillator potentials'' by
                                  Y.-H. Chen and S. D. Chao  . . . . . . . 1511--1514
                Giorgio Celebre   An analytical altitude- and
                                  wavelength-dependent expression of the $
                                  j_3 $ rate coefficient governing the
                                  photolysis of the atmospheric ozone  . . 1515--1519
                  G. Milani and   
                      F. Milani   Rubber blends: kinetic numerical model
                                  by rheometer experimental
                                  characterization . . . . . . . . . . . . 1520--1542
             Aisha M. Alqahtani   Numerical simulation to study the
                                  pattern formation of reaction-diffusion
                                  Brusselator model arising in triple
                                  collision and enzymatic  . . . . . . . . 1543--1566
                Junfeng Yao and   
                    T. E. Simos   New five-stages two-step method with
                                  improved characteristics . . . . . . . . 1567--1594
               Josef Paldus and   
                Josep Planelles   Valence bond approach and Verma bases    1595--1630
       Bhaveshkumar C. Dharmani   Multivariate generalized Gram--Charlier
                                  series in vector notations . . . . . . . 1631--1655
             Abdelmalek Boumali   The statistical properties of
                                  $q$-deformed Morse potential for some
                                  diatomic molecules via Euler--MacLaurin
                                  method in one dimension  . . . . . . . . 1656--1666
           Amit Kumar Verma and   
                Sheerin Kayenat   On the convergence of Mickens' type
                                  nonstandard finite difference schemes on
                                  Lane--Emden type equations . . . . . . . 1667--1706
                    Li Wang and   
           Bernhard Maschke and   
           Arjan van der Schaft   Port-Hamiltonian modeling of
                                  non-isothermal chemical reaction
                                  networks . . . . . . . . . . . . . . . . 1707--1727
                Jordan Katz and   
                  Diana Hubbard   A topological characterization of the
                                  products arising from site-specific
                                  recombination on $ T(2, n) \# C(2, r) $
                                  DNA substrates . . . . . . . . . . . . . 1728--1743
                Xiuyun Zhai and   
              Mingtong Chen and   
                 Wencong Lu and   
                 Dongping Chang   Predicting specific surface areas of
                                  layered double hydroxides based on
                                  support vector regression integrated
                                  with a residual bootstrapping method . . 1744--1758
               Martin Frank and   
              Christian Lax and   
          Sebastian Walcher and   
                   Olaf Wittich   Quasi-steady state reduction for the
                                  Michaelis--Menten reaction-diffusion
                                  system . . . . . . . . . . . . . . . . . 1759--1781
 Jesús Ágreda and   
      Carolina Mejía and   
       J. Andrés Montoya   On the linear algebra of biological
                                  homochirality  . . . . . . . . . . . . . 1782--1810

Journal of Mathematical Chemistry
Volume 56, Number 7, August, 2018

       Jesús Vigo Aguiar   Foreword for the Special issue on CMMSE
                                  2017 . . . . . . . . . . . . . . . . . . 1811--1812
            L. Bayón and   
           P. Fortuny Ayuso and   
                 J. M. Grau and   
                 M. M. Ruiz and   
            P. M. Suárez   CMMSE-17: general analytical laws for
                                  metabolic pathways . . . . . . . . . . . 1813--1825
Cosar Gözükirmizi and   
                 Metin Demiralp   Probabilistic evolution theory for
                                  explicit autonomous ordinary
                                  differential equations: recursion of
                                  squarified telescope matrices and
                                  optimal space extension  . . . . . . . . 1826--1848
José M. Rodríguez and   
José L. Sánchez and   
       José M. Sigarreta   CMMSE --- on the first general Zagreb
                                  index  . . . . . . . . . . . . . . . . . 1849--1864
Alvaro Martínez-Pérez and   
José M. Rodríguez and   
       José M. Sigarreta   CMMSE: A new approximation to the
                                  geometric--arithmetic index  . . . . . . 1865--1883
                 Fiza Zafar and   
             Alicia Cordero and   
              R. Quratulain and   
             Juan R. Torregrosa   Optimal iterative methods for finding
                                  multiple roots of nonlinear equations
                                  using free parameters  . . . . . . . . . 1884--1901
             Alicia Cordero and   
         Lucía Guasp and   
             Juan R. Torregrosa   CMMSE2017: On two classes of fourth- and
                                  seventh-order vectorial methods with
                                  stable behavior  . . . . . . . . . . . . 1902--1923
               Yonglei Fang and   
               Yanwei Zhang and   
                      Ping Wang   Two-derivative Runge--Kutta methods with
                                  increased phase-lag and dissipation
                                  order for the Schrödinger equation  . . . 1924--1934
Á. Alberto Magreñán and   
         Ioannis K. Argyros and   
                 Lara Orcos and   
           Juan Antonio Sicilia   Secant-like methods for solving
                                  nonlinear models with applications to
                                  chemistry  . . . . . . . . . . . . . . . 1935--1957
         Ioannis K. Argyros and   
       Elena Giménez and   
Á. A. Magreñán and   
    Í. Sarría and   
           Juan Antonio Sicilia   Improved semilocal convergence analysis
                                  in Banach space with applications to
                                  chemistry  . . . . . . . . . . . . . . . 1958--1975
Jorge E. Macías-Díaz and   
Héctor Vargas-Rodríguez   Traveling-wave solutions of a
                                  generalized damped wave equation with
                                  time-dependent coefficients through the
                                  trial equation method  . . . . . . . . . 1976--1984
Jorge E. Macías-Díaz and   
               Armando Gallegos   A structure-preserving computational
                                  method in the simulation of the dynamics
                                  of cancer growth with radiotherapy . . . 1985--2000
                 Metin Demiralp   Promenading in the enchanted realm of
                                  Kronecker powers: single monomial
                                  probabilistic evolution theory (PREVTH)
                                  in evolver dynamics  . . . . . . . . . . 2001--2023
               Berfin Kalay and   
                 Metin Demiralp   Somehow emancipating Probabilistic
                                  Evolution Theory (PREVTH) from
                                  singularities via getting single
                                  monomial PREVTH  . . . . . . . . . . . . 2024--2043
   Semra Bayat Özdemir and   
                 Metin Demiralp   Using enchanted features of Constancy
                                  Adding Space Extension (CASE) to reduce
                                  the dimension of evolver dynamics:
                                  Single Monomial Probabilistic Evolution
                                  Theory . . . . . . . . . . . . . . . . . 2044--2068
             Ramandeep Behl and   
       Ali Saleh Alshomrani and   
                    S. S. Motsa   An optimal scheme for multiple roots of
                                  nonlinear equations with eighth-order
                                  convergence  . . . . . . . . . . . . . . 2069--2084
Gonzalo Cerruela García and   
Nicolás García-Pedrajas and   
           Irene Luque Ruiz and   
Miguel Ángel Gómez-Nieto   An ensemble approach for in silico
                                  prediction of Ames mutagenicity  . . . . 2085--2098
                  P. Maroju and   
Á. A. Magreñán and   
                S. S. Motsa and   
        Í. Sarría   Second derivative free sixth order
                                  continuation method for solving
                                  nonlinear equations with applications    2099--2116
Á. A. Magreñán and   
              I. K. Argyros and   
               J. J. Rainer and   
                  J. A. Sicilia   Ball convergence of a sixth-order
                                  Newton-like method based on means under
                                  weak conditions  . . . . . . . . . . . . 2117--2131

Journal of Mathematical Chemistry
Volume 56, Number 8, September, 2018

                Dzevad Belki\'c   The Euler $T$ and Lambert $W$ functions
                                  in mechanistic radiobiological models
                                  with chemical kinetics for repair of
                                  irradiated cells . . . . . . . . . . . . 2133--2193
       Krishnan Balasubramanian   Relativity and the Jahn--Teller, Berry
                                  pseudorotations of TBP clusters: group
                                  theory, spin-orbit and combinatorial
                                  nuclear spin statistics of TBP
                                  Desargues--Levi isomerization graph  . . 2194--2225
                Shinsaku Fujita   Hierarchical enumeration of Kekulé's
                                  benzenes, Ladenburg's benzenes, Dewar's
                                  benzenes, and benzvalenes by using
                                  combined-permutation representations . . 2226--2266
           Ibraheem Alolyan and   
                    T. E. Simos   New three-stages symmetric six-step
                                  finite difference method with vanished
                                  phase-lag and its derivatives up to
                                  sixth derivative for second order
                                  initial and/or boundary value problems
                                  with periodical and/or oscillating
                                  solutions  . . . . . . . . . . . . . . . 2267--2301
           V. N. Kovalnogov and   
              R. V. Fedorov and   
           A. A. Bondarenko and   
                    T. E. Simos   New hybrid two-step method with
                                  optimized phase and stability
                                  characteristics  . . . . . . . . . . . . 2302--2340
Vladimír Krajnák and   
                Holger Waalkens   The phase space geometry underlying
                                  roaming reaction dynamics  . . . . . . . 2341--2378
   B. Christopher Rinderspacher   Chemical compound design using nuclear
                                  charge distributions . . . . . . . . . . 2379--2391
             Ching Koon Yau and   
       Christopher G. Jesudason   Mathematical modeling of the effects of
                                  attenuation and system electronic
                                  coupling on the determination of speed
                                  of sound in ultrasonic interferometry    2392--2417
       Alexey A. Kipriyanov and   
    Alexander A. Kipriyanov and   
          Alexander B. Doktorov   Binary non-Markovian theory of bulk
                                  associative-dissociative reaction $ A +
                                  A \leftrightarrow C $. I: many-particle
                                  aspects of the theory  . . . . . . . . . 2418--2453
                     Ke Yan and   
                    T. E. Simos   New Runge--Kutta type symmetric two-step
                                  method with optimized characteristics    2454--2484
             Qaiser Mushtaq and   
                  Nighat Mumtaz   $ {\rm PSL}(2, 7) $ and carbon allotrope
                                  $D$ 168 Schwarzite . . . . . . . . . . . 2485--2494
             Qaiser Mushtaq and   
                  Nighat Mumtaz   Correction to: $ {\rm PSL}(2, 7) $ and
                                  carbon allotrope $D$ 168 Schwarzite  . . 2495--2495
                     Hui Li and   
                 Shuqin Jia and   
             Tianliang Zhao and   
                      Ying Huai   Skeletal and reduced chemical mechanism
                                  for hydrogen fluoride chemical laser . . 2496--2511
          Tomislav Dosli\'c and   
                    Ivana Zubac   Partition of $ \pi $-electrons among the
                                  faces of polyhedral carbon clusters  . . 2512--2524
                   Yun Zhao and   
                Jianfeng He and   
                        Jing Li   The structural modeling of EF-hand
                                  motifs in parvalbumin  . . . . . . . . . 2525--2536
            Dzevad Belki\'c and   
                 Karen Belki\'c   Validation of reconstructed component
                                  spectra from non-parametric derivative
                                  envelopes: comparison with component
                                  lineshapes from parametric derivative
                                  estimations with the solved
                                  quantification problem . . . . . . . . . 2537--2578

Journal of Mathematical Chemistry
Volume 56, Number 9, October, 2018

                  Randhir Singh   Optimal homotopy analysis method for the
                                  non-isothermal reaction-diffusion model
                                  equations in a spherical catalyst  . . . 2579--2590
                 Zhong Chen and   
              Chenglian Liu and   
                    T. E. Simos   New three-stages symmetric two step
                                  method with improved properties for
                                  second order initial/boundary value
                                  problems . . . . . . . . . . . . . . . . 2591--2616
                 Inna Elyukhina   $2$D general nonlinear parabolic
                                  equation for unstable wave package
                                  envelope in structural macrokinetics . . 2617--2625
              V. Skakauskas and   
               P. Katauskis and   
                      R. Ciegis   Modelling of the NO + CO reaction over
                                  inhomogeneous surfaces . . . . . . . . . 2626--2642
         Eduardo R. Mendoza and   
Dylan Antonio S. J. Talabis and   
                 Editha C. Jose   Positive equilibria of weakly reversible
                                  power law kinetic systems with linear
                                  independent interactions . . . . . . . . 2643--2673
               Karl-Erik Thylwe   Heavy-particle resonance phase shifts:
                                  an improved amplitude-phase formula  . . 2674--2690
               Tian-Chu Hao and   
              Fu-Zhong Cong and   
                  Yu-Feng Shang   An efficient method for solving coupled
                                  Lane--Emden boundary value problems in
                                  catalytic diffusion reactions and error
                                  estimate . . . . . . . . . . . . . . . . 2691--2706
       Krishnan Balasubramanian   Combinatorial multinomial generators for
                                  colorings of $4$D-hypercubes and their
                                  applications . . . . . . . . . . . . . . 2707--2723
                  Zhen Yang and   
               Xingsheng Gu and   
             Changjian Ling and   
                   Xiaoyi Liang   Computational and experimental
                                  approaches for investigating membranes
                                  diffusion behavior in model diesel fuel  2724--2740
             P. I. Stasinos and   
              Theodore E. Simos   New $8$-step symmetric embedded
                                  predictor-corrector (EPCM) method with
                                  vanished phase-lag and its first
                                  derivative for the numerical integration
                                  of the Schrödinger equation . . . . . . . 2741--2767
                 Chang Zhao and   
                   Yi Fu Li and   
               Bao Qiang Xu and   
                   Bin Yang and   
                Da Chun Liu and   
                  Hong Wei Yang   Calculation of the second virial
                                  coefficients of alkali metals by
                                  modified Peng--Robinson equation . . . . 2768--2784
                 Chunhu Sun and   
                   Heping Zhang   On bicriticality of (3,6)-fullerene
                                  graphs . . . . . . . . . . . . . . . . . 2785--2793
              Tomislav Dosli\'c   On the number of spanning trees in
                                  alternating polycyclic chains  . . . . . 2794--2800
               Vesna Andova and   
                Martin Knor and   
               Riste Skrekovski   Distance based indices in nanotubical
                                  graphs: part 1 . . . . . . . . . . . . . 2801--2815
           V. N. Kovalnogov and   
              R. V. Fedorov and   
                    T. E. Simos   New hybrid symmetric two step scheme
                                  with optimized characteristics for
                                  second order problems  . . . . . . . . . 2816--2844

Journal of Mathematical Chemistry
Volume 56, Number 10, November, 2018

                Shinsaku Fujita   Hierarchical enumeration of octahedral
                                  complexes by using combined-permutation
                                  representations  . . . . . . . . . . . . 2845--2875
        Raffaele D'Ambrosio and   
           Martina Moccaldi and   
       Beatrice Paternoster and   
                 Federico Rossi   Adapted numerical modelling of the
                                  Belousov--Zhabotinsky reaction . . . . . 2876--2897
           Ibraheem Alolyan and   
                    T. E. Simos   New four-stages symmetric six-step
                                  method with improved phase properties
                                  for second order problems with
                                  periodical and/or oscillating solutions  2898--2928
             Noel T. Fortun and   
         Eduardo R. Mendoza and   
              Luis F. Razon and   
                 Angelyn R. Lao   A Deficiency--One Algorithm for
                                  power-law kinetic systems with
                                  reactant-determined interactions . . . . 2929--2962
         M. Vijay Alexander and   
                   G. Meenakshi   Investigation of ultrasonic speeds of
                                  sound and excess parameters in binary
                                  liquid mixtures of $N$-alkanes with
                                  octan-$2$-ol using different empirical
                                  theories at 298.15 K . . . . . . . . . . 2963--2981
                Han-Bin Liu and   
             Liang-Zhong Yi and   
                 Chun-Sheng Jia   Solutions of the Klein--Gordon equation
                                  with the improved Tietz potential energy
                                  model  . . . . . . . . . . . . . . . . . 2982--2994
        Tomislav Do\vsli\'c and   
            Ivica Martinjak and   
         Riste \vSkrekovski and   
Sanja Tipuri\'c Spu\vzevi\'c and   
                    Ivana Zubac   Mostar index . . . . . . . . . . . . . . 2995--3013
                   Ruru Hao and   
                    T. E. Simos   New Runge--Kutta type symmetric two step
                                  finite difference pair with improved
                                  properties for second order initial
                                  and/or boundary value problems . . . . . 3014--3044
                      Qamar Din   A novel chaos control strategy for
                                  discrete-time Brusselator models . . . . 3045--3075
               Vesna Andova and   
                Martin Knor and   
               Riste Skrekovski   Distance based indices in nanotubical
                                  graphs: part 2 . . . . . . . . . . . . . 3076--3088
        Gülnihal Meral and   
         Neslihan Nesliye Pelen   Mathematical analysis and numerical
                                  simulations for the HSP70 synthesis
                                  model  . . . . . . . . . . . . . . . . . 3089--3114
                Jianfeng He and   
                   Yun Zhao and   
                        Jing Li   The ensemble folding dynamics of EF-hand
                                  domain in parvalbumin from a Monte Carlo
                                  simulation . . . . . . . . . . . . . . . 3115--3125
           Hiroshi Sakiyama and   
                  Katsushi Waki   Enumeration of conformers for octahedral
                                  trans/cis-[MX$_2$ (AB)$_4$] and
                                  trans/cis-[MX$_2$ (ABC)$_4$] complexes
                                  on the basis of computational group
                                  theory . . . . . . . . . . . . . . . . . 3126--3135
               Yufeng Huang and   
              Lingsheng Shi and   
                      Xingyu Xu   The Hosoya index and the
                                  Merrifield--Simmons index  . . . . . . . 3136--3146
                       Yan Wang   Pfaffian polyominos on the Klein bottle  3147--3160


Journal of Mathematical Chemistry
Volume 57, Number 1, January, 2019

                Dzevad Belki\'c   Double charge exchange in ion-atom
                                  collisions using distorted wave theories
                                  with two-electron continuum intermediate
                                  states in one or both scattering
                                  channels . . . . . . . . . . . . . . . . 1--58
                Dzevad Belki\'c   All the trinomial roots, their powers
                                  and logarithms from the Lambert series,
                                  Bell polynomials and Fox--Wright
                                  function: illustration for genome
                                  multiplicity in survival of irradiated
                                  cells  . . . . . . . . . . . . . . . . . 59--106
          J. P. Killingbeck and   
                G. Jolicard and   
                    A. Grosjean   The Hill determinant method revisited    107--118
                Guo-Hua Qiu and   
              Chenglian Liu and   
                    T. E. Simos   A new multistep method with optimized
                                  characteristics for initial and/or
                                  boundary value problems  . . . . . . . . 119--148
               Sanjay Kumar and   
                 Ram Jiwari and   
                   R. C. Mittal   Numerical simulation for computational
                                  modelling of reaction-diffusion
                                  Brusselator model arising in chemical
                                  processes  . . . . . . . . . . . . . . . 149--179
               Niko Tratnik and   
         Petra Zigert Pletersek   The edge-Hosoya polynomial of benzenoid
                                  chains . . . . . . . . . . . . . . . . . 180--189
           Aleksej Trofimov and   
               Tatjana Gric and   
                    Ortwin Hess   Three-layered nanostructured
                                  metamaterials for surface plasmon
                                  polariton guiding  . . . . . . . . . . . 190--201
                Shuang Zhao and   
                   Heping Zhang   Forcing and anti-forcing polynomials of
                                  perfect matchings for some rectangle
                                  grids  . . . . . . . . . . . . . . . . . 202--225
            P. Cassam-Chena\"\i   An improved lower bound for the maximal
                                  length of a multivector  . . . . . . . . 226--231
           V. N. Kovalnogov and   
              R. V. Fedorov and   
              D. V. Suranov and   
                    T. E. Simos   New multiple stages scheme with improved
                                  properties for second order problems . . 232--262
                Yanzhen Hou and   
                    Jin Dai and   
                Jianfeng He and   
             Antti J. Niemi and   
                Xubiao Peng and   
                  Nevena Ilieva   Intrinsic protein geometry with
                                  application to non-proline cis peptide
                                  planes . . . . . . . . . . . . . . . . . 263--279
                 Milan Randi\'c   Mathematical chemistry illustrations: a
                                  personal view of less known results  . . 280--314
            Nikolay A. Tikhonov   On the phenomenon of isothermal
                                  supersaturation of solutions at ion
                                  exchange in porous media . . . . . . . . 315--326
              Romas Baronas and   
               Juozas Kulys and   
              Linas Petkevicius   Computational modeling of batch stirred
                                  tank reactor based on spherical catalyst
                                  particles  . . . . . . . . . . . . . . . 327--342
         Micheal Arockiaraj and   
            Sandi Klav\vzar and   
            Shagufa Mushtaq and   
       Krishnan Balasubramanian   Distance-based topological indices of
                                  nanosheets, nanotubes and nanotori of $
                                  {\rm SiO}_2 $  . . . . . . . . . . . . . 343--369
                   Niko Tratnik   Formula for calculating the Wiener
                                  polarity index with applications to
                                  benzenoid graphs and phenylenes  . . . . 370--383

Journal of Mathematical Chemistry
Volume 57, Number 2, February, 2019

            Dzevad Belki\'c and   
                 Karen Belki\'c   Review of recent applications of the
                                  conventional and derivative fast Padé
                                  transform for magnetic resonance
                                  spectroscopy . . . . . . . . . . . . . . 385--464
                Cui-Xia Yao and   
                    Qi-Ying Xia   Coriolis coupling effects in the
                                  dynamics of the D($^2$S) + NH(X$^3
                                  \Sigma^-$) $ \to $ N($^4$ S) + H D(X$^1
                                  \Sigma_g^+ $) reaction and its kinetic
                                  isotope effect . . . . . . . . . . . . . 465--472
           Mircea V. Diudea and   
                  Csaba L. Nagy   Rhombellane space filling  . . . . . . . 473--483
             K. F. Koledina and   
              S. N. Koledin and   
             A. P. Karpenko and   
          I. M. Gubaydullin and   
                 M. K. Vovdenko   Multi-objective optimization of chemical
                                  reaction conditions based on a kinetic
                                  model  . . . . . . . . . . . . . . . . . 484--493
               Guiping Wang and   
                    T. E. Simos   New multiple stages two-step complete in
                                  phase algorithm with improved
                                  characteristics for second order
                                  initial/boundary value problems  . . . . 494--515
               Mikhail V. Kirov   Dipole moment of polyhedral water
                                  clusters: mathematical relationships and
                                  their application  . . . . . . . . . . . 516--532
           Hirokazu Komatsu and   
          Hiroyuki Nakajima and   
                       Akio Ito   Asymptotic stability of a non-weakly
                                  reversible biochemical reaction network
                                  composed of cardiac hypertrophy factors  533--569
           Harshita Madduri and   
                    Pradip Roul   A fast-converging iterative scheme for
                                  solving a system of Lane--Emden
                                  equations arising in catalytic diffusion
                                  reactions  . . . . . . . . . . . . . . . 570--582
                Pradip Roul and   
               Harshita Madduri   An optimal iterative algorithm for
                                  solving Bratu-type problems  . . . . . . 583--598
                 A. Bouhank and   
                   L. Bencheikh   Theoretical modelling for calculation of
                                  the energy densities of adsorption sites
                                  using inverse gas chromatography . . . . 599--608
               Aysun Yurtas and   
                 Muge Togan and   
       Veerebradiah Lokesha and   
         Ismail Naci Cangul and   
                    Ivan Gutman   Inverse problem for Zagreb indices . . . 609--615
        Rebeka Szabó and   
             Gábor Lente   Full analytical solution of a
                                  nucleation-growth type kinetic model of
                                  nanoparticle formation . . . . . . . . . 616--631
                  Paulo C. Rech   Organization of the periodicity in the
                                  parameter-space of a glycolysis
                                  discrete-time mathematical model . . . . 632--637
                Alain Mvogo and   
Jorge E. Macías-Díaz   Complex pattern formation arising from
                                  wave instabilities in a three-agent
                                  chemical system with superdiffusion  . . 638--654
       Krishnan Balasubramanian   Computational multinomial combinatorics
                                  for colorings of $5$D-hypercubes for all
                                  irreducible representations and
                                  applications . . . . . . . . . . . . . . 655--689

Journal of Mathematical Chemistry
Volume 57, Number 3, March, 2019

       Ramon Carbó-Dorca   Vector spaces defined over the unit
                                  interval . . . . . . . . . . . . . . . . 691--693
       Ramon Carbó-Dorca   Transformation of boolean hypercube
                                  vertices into unit interval elements:
                                  QSPR workout consequences  . . . . . . . 694--696
       Ramon Carbó-Dorca   Role of the structure of Boolean
                                  hypercubes when used as vectors in
                                  natural (Boolean) vector semispaces  . . 697--700
             Mykhaylo Khoma and   
                   Ralph Jaquet   A perturbative approach for the
                                  construction of the non-adiabatic
                                  nuclear kinetic energy operator for
                                  diatomic and triatomic systems . . . . . 701--725
     Daniel P. Biebighauser and   
                Darin J. Ulness   Application of group ring algebra to
                                  localized and delocalized quantum states
                                  in periodic potentials . . . . . . . . . 726--749
                Sandip Saha and   
            Gautam Gangopadhyay   When an oscillating center in an open
                                  system undergoes power law decay . . . . 750--768
           Om Prakash Yadav and   
                     Ram Jiwari   A finite element approach to capture
                                  Turing patterns of autocatalytic
                                  Brusselator model  . . . . . . . . . . . 769--789
Luis E. Piña-Villalpando and   
Jorge E. Macías-Díaz and   
             Evguenii Kurmyshev   Nonlinear supratransmission in
                                  fractional wave systems  . . . . . . . . 790--811
           A. L. De Bortoli and   
                  F. N. Pereira   Obtaining a reduced kinetic mechanism
                                  for Methyl Butanoate . . . . . . . . . . 812--833
           Ibraheem Alolyan and   
                    T. E. Simos   New multiple stages multistep method
                                  with best possible phase properties for
                                  second order initial/boundary value
                                  problems . . . . . . . . . . . . . . . . 834--857
               Hiroshi Sakiyama   Theoretical equations of Zeeman energy
                                  levels for distorted metal complexes
                                  with $^5 T_{2g}$ ground terms  . . . . . 858--874
             Najlaa Alalwan and   
                Alex Arenas and   
                Ernesto Estrada   Topological melting in networks of
                                  granular materials . . . . . . . . . . . 875--894
                   Nan Yang and   
                    T. E. Simos   New four stages multistep in phase
                                  algorithm with best possible properties
                                  for second order problems  . . . . . . . 895--917
             Ramandeep Behl and   
       Ali Saleh Alshomrani and   
Á. A. Magreñán   Two general higher-order derivative free
                                  iterative techniques having optimal
                                  convergence order  . . . . . . . . . . . 918--938
  Francisco M. Fernández   On the application of the Kronecker
                                  product to three-spin systems  . . . . . 939--944
                    Pradip Roul   A new mixed MADM--Collocation approach
                                  for solving a class of Lane--Emden
                                  singular boundary value problems . . . . 945--969

Journal of Mathematical Chemistry
Volume 57, Number 4, April, 2019

Alexey Alexandrovich Fedorov and   
     Alexander S. Berdnikov and   
          Vladimir E. Kurochkin   The polymerase chain reaction model
                                  analyzed by the homotopy perturbation
                                  method . . . . . . . . . . . . . . . . . 971--985
         K. M. Dharmalingam and   
               M. Veeramuni and   
                     T. Praveen   Analytical expressions of the substrate
                                  and mediator of multi-step enzyme
                                  electrodes . . . . . . . . . . . . . . . 986--1000
         Alessandro Ceccato and   
             Paolo Nicolini and   
                 Diego Frezzato   Recasting the mass-action rate equations
                                  of open chemical reaction networks into
                                  a universal quadratic format . . . . . . 1001--1018
                  G. Milani and   
                      F. Milani   Numerical kinetic model with
                                  regularization for NR--PB natural and
                                  poly-butadiene rubber blends:
                                  implementation and validation against
                                  experimental data  . . . . . . . . . . . 1019--1034
          Conor L. Morrison and   
                Bernard Shizgal   Pseudospectral solution of the
                                  Schrödinger equation for the Rosen--Morse
                                  and Eckart potentials  . . . . . . . . . 1035--1052
Juan Alberto Rodríguez-Velázquez and   
           Alexandru T. Balaban   Two new topological indices based on
                                  graph adjacency matrix eigenvalues and
                                  eigenvectors . . . . . . . . . . . . . . 1053--1074
       Ramon Carbó-Dorca   Universal transformation and non-linear
                                  connection between experimental and
                                  calculated property vectors in QSPR  . . 1075--1087
                    Fei Hui and   
                    T. E. Simos   New multistage two-step complete in
                                  phase scheme with improved properties
                                  for quantum chemistry problems . . . . . 1088--1111
                 Zhong Chen and   
              Chenglian Liu and   
              Chieh-Wen Hsu and   
                    T. E. Simos   A new multistage multistep full in phase
                                  algorithm with optimized characteristics
                                  for problems in chemistry  . . . . . . . 1112--1139
           N. B. Ferapontov and   
            M. G. Tokmachev and   
           S. N. Khudyakova and   
                  Kh. T. Trobov   Influence of the sorbed acids on the
                                  swelling degree of the strongly basic
                                  ion exchanger  . . . . . . . . . . . . . 1140--1153
             M. Mahalakshmi and   
                   G. Hariharan   An efficient wavelet-based method for
                                  the numerical solutions of nonlinear
                                  coupled reaction-diffusion equations in
                                  biochemical engineering  . . . . . . . . 1154--1168
 Juan Carlos Bolívar and   
          Ágnes Nagy and   
                  Elvira Romera   Phase-space Fisher information of $2$D
                                  gapped Dirac materials . . . . . . . . . 1169--1180
  Francisco M. Fernández   Comment on: ''On the computation of
                                  eigenvalues of the anharmonic Coulombic
                                  potential''  . . . . . . . . . . . . . . 1181--1190
                  M. Janani and   
           S. Devadharshini and   
                   G. Hariharan   Analytical expressions of amperometric
                                  enzyme kinetics pertaining to the
                                  substrate concentration using wavelets   1191--1200
              Chieh-Wen Hsu and   
              Chialiang Lin and   
              Chenglian Liu and   
                    T. E. Simos   A new four-stages two-step phase fitted
                                  scheme for problems in quantum chemistry 1201--1229
                       Yan Wang   The Pfaffian property of graphs on the
                                  Möbius strip based on topological
                                  resolution . . . . . . . . . . . . . . . 1230--1238
           Amit Kumar Verma and   
                Sheerin Kayenat   Correction to: On the convergence of
                                  Mickens' type nonstandard finite
                                  difference schemes on Lane--Emden type
                                  equations  . . . . . . . . . . . . . . . 1239--1240

Journal of Mathematical Chemistry
Volume 57, Number 5, May, 2019

              Jesus Vigo-Aguiar   International Conference on
                                  Computational and Mathematical Methods
                                  in Science and Engineering, held in
                                  Costa Ballena, Cádiz, Spain, July 9--13,
                                  2018 . . . . . . . . . . . . . . . . . . 1241--1242
                Elena Recio and   
          Tamara M. Garrido and   
          Rafael de la Rosa and   
  María S. Bruzón   Conservation laws and Lie symmetries a $
                                  (2 + 1)$-dimensional thin film equation  1243--1251
         P. González and   
                   H. Idais and   
                 M. Pasadas and   
                       M. Yasin   Approximation of fuzzy functions by
                                  fuzzy interpolating bicubic splines:
                                  2018 CMMSE conference  . . . . . . . . . 1252--1267
         Ioannis K. Argyros and   
Á. A. Magreñán and   
                   L. Orcos and   
Íñígo Sarría and   
           Juan Antonio Sicilia   Different methods for solving STEM
                                  problems . . . . . . . . . . . . . . . . 1268--1281
     Francisco I. Chicharro and   
             Alicia Cordero and   
               Neus Garrido and   
             Juan R. Torregrosa   Stability and applicability of iterative
                                  methods with memory  . . . . . . . . . . 1282--1300
              T. M. Garrido and   
              R. de la Rosa and   
                   E. Recio and   
            M. S. Bruzón   Symmetries, solutions and conservation
                                  laws for the $ (2 + 1) $
                                  filtration-absorption model  . . . . . . 1301--1313
   E. Urenda-Cázares and   
             P. B. Espinoza and   
                A. Gallegos and   
  R. Jaimes-Reátegui and   
J. E. Macías-Díaz and   
     H. Vargas-Rodríguez   The noisy Pais--Uhlenbeck oscillator . . 1314--1329
            L. Bayón and   
           P. Fortuny Ayuso and   
                J. A. Otero and   
        P. M. Suárez and   
                       C. Tasis   Influence of enzyme production dynamics
                                  on the optimal control of a linear
                                  unbranched chemical process  . . . . . . 1330--1343
                A. R. Amiri and   
             Alicia Cordero and   
             M. T. Darvishi and   
             Juan R. Torregrosa   Stability analysis of Jacobian-free
                                  iterative methods for solving nonlinear
                                  systems by using families of $m$-th
                                  power divided differences  . . . . . . . 1344--1373
           Irene Luque Ruiz and   
Miguel Ángel Gómez-Nieto   Prediction of the datasets modelability
                                  for the building of QSAR classification
                                  models by means of the centroid based
                                  rivality index . . . . . . . . . . . . . 1374--1393
             Ahmed S. Hendy and   
Jorge E. Macías-Díaz   An efficient Hamiltonian numerical model
                                  for a fractional Klein--Gordon equation
                                  through weighted-shifted Grünwald
                                  differences  . . . . . . . . . . . . . . 1394--1412
                 Shiwei Liu and   
                 Juan Zheng and   
                   Yonglei Fang   A new embedded $ 4 (3) $ pair of
                                  modified two-derivative Runge--Kutta
                                  methods with FSAL property for the
                                  numerical solution of the Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1413--1426
            Domingo Pestana and   
   José M. Sigarreta and   
              Eva Tourís   CMMSE 18: geometric-arithmetic index and
                                  line graph . . . . . . . . . . . . . . . 1427--1447
                 Fiza Zafar and   
             Alicia Cordero and   
         Juan R. Torregrosa and   
                    Aneeqa Rafi   A general class of four parametric with-
                                  and without memory iterative methods for
                                  nonlinear equations  . . . . . . . . . . 1448--1471
Álvaro Martínez-Pérez and   
José M. Rodríguez   Some results on lower bounds for
                                  topological indices  . . . . . . . . . . 1472--1495
               Yanping Yang and   
               Yonglei Fang and   
                Kaimin Wang and   
                      Xiong You   THDRK methods with vanished phase-lag
                                  and its first derivative for the
                                  Schrödinger equation  . . . . . . . . . . 1496--1507
         Ioannis K. Argyros and   
                M. J. Legaz and   
Á. A. Magreñán and   
                  D. Moreno and   
           Juan Antonio Sicilia   Extended local convergence for some
                                  inexact methods with applications  . . . 1508--1523
José M. Rodríguez and   
José L. Sánchez and   
       José M. Sigarreta   Inequalities on the inverse degree index 1524--1542
                      Ke Wu and   
               Yonglei Fang and   
                      Dewen Liu   Trigonometrically fitted two-step
                                  Obrechkoff linear methods for the
                                  Schrödinger equation  . . . . . . . . . . 1543--1556
                Sunil Kumar and   
             Joginder Singh and   
                   Mukesh Kumar   A robust domain decomposition method for
                                  singularly perturbed parabolic
                                  reaction-diffusion systems . . . . . . . 1557--1578

Journal of Mathematical Chemistry
Volume 57, Number 6, June, 2019

         Jürg Hulliger and   
                Rolf Hesterberg   Reversal transition for polar molecular
                                  crystals: critical clusters size
                                  analysis and Monte Carlo simulations . . 1579--1585
                Yanzhen Hou and   
             Antti J. Niemi and   
                Xubiao Peng and   
                  Nevena Ilieva   Myoglobin ligand gate mechanism analysis
                                  by a novel $3$D visualization technique  1586--1597
          Maxim A. Medvedev and   
                    T. E. Simos   A three-stages multistep teeming in
                                  phase algorithm for computational
                                  problems in chemistry  . . . . . . . . . 1598--1617
                 Kexiang Xu and   
                   Fang Gao and   
         Kinkar Chandra Das and   
             Nenad Trinajsti\'c   A formula with its applications on the
                                  difference of Zagreb indices of graphs   1618--1626
           Ibraheem Alolyan and   
                    T. E. Simos   A four-stages multistep fraught in phase
                                  method for quantum chemistry problems    1627--1651
               Xiaopeng Luo and   
                     Xin Xu and   
                Herschel Rabitz   Meshless Hermite--HDMR finite difference
                                  method for high-dimensional Dirichlet
                                  problems . . . . . . . . . . . . . . . . 1652--1669
              Marek Lampart and   
        Tomás Martinovic   Chaotic behavior of the CML model with
                                  respect to the state and coupling
                                  parameters . . . . . . . . . . . . . . . 1670--1681

Journal of Mathematical Chemistry
Volume 57, Number 7, August, 2019

                     Xin Xu and   
               Xiaopeng Luo and   
                Herschel Rabitz   Numerical meshless solution of
                                  high-dimensional sine-Gordon equations
                                  via Fourier HDMR--HC approximation . . . 1683--1699
              Robert Fuster and   
      Maria T. Gassó and   
          Isabel Giménez   CMMSE algorithms for constructing doubly
                                  stochastic matrices with the relative
                                  gain array (combined matrix) $ {A \circ
                                  } A^{-T} $ . . . . . . . . . . . . . . . 1700--1709
                 Mingfei Xu and   
                    T. E. Simos   A multistage two-step fraught in phase
                                  scheme for problems in mathematical
                                  chemistry  . . . . . . . . . . . . . . . 1710--1731
               Prashant Rai and   
           Khachik Sargsyan and   
                 Habib Najm and   
                      So Hirata   Sparse low rank approximation of
                                  potential energy surfaces with
                                  applications in estimation of anharmonic
                                  zero point energies and frequencies  . . 1732--1754
Ramón Alain Miranda-Quintana and   
           Taewon David Kim and   
        Farnaz Heidar-Zadeh and   
                  Paul W. Ayers   On the impossibility of unambiguously
                                  selecting the best model for fitting
                                  data . . . . . . . . . . . . . . . . . . 1755--1769
                   Laszlo Tarko   Novel criteria for elimination of the
                                  outliers in QSPR studies, when the
                                  `forward stepwise' procedure is used . . 1770--1796
           Sharmistha Dhatt and   
               Kinshuk Banerjee   Efficacy of quasi-steady-state
                                  approximation in Michaelis--Menten
                                  kinetics: a stochastic signature . . . . 1797--1805
           Neetik Mukherjee and   
                   Amlan K. Roy   Some complexity measures in confined
                                  isotropic harmonic oscillator  . . . . . 1806--1821
         Alessandro Ceccato and   
                 Diego Frezzato   Inequalities for overdamped fluctuating
                                  systems  . . . . . . . . . . . . . . . . 1822--1839
                Paolo Amore and   
  Francisco M. Fernández   On a model for rotational tunneling with
                                  a $ C_6 $-space-time symmetric analog    1840--1849
          Vladimir R. Rosenfeld   Looking into the future of molecules
                                  with novel topological symmetries  . . . 1850--1867
         Micheal Arockiaraj and   
            Sandi Klav\vzar and   
            Shagufa Mushtaq and   
       Krishnan Balasubramanian   Topological indices of the subdivision
                                  of a family of partial cubes and
                                  computation of $ {\rm SiO}_2 $ related
                                  structures . . . . . . . . . . . . . . . 1868--1883

Journal of Mathematical Chemistry
Volume 57, Number 8, September, 2019

                  S. Balaji and   
                   G. Hariharan   An efficient operational matrix method
                                  for the numerical solutions of the
                                  fractional Bagley--Torvik equation using
                                  wavelets . . . . . . . . . . . . . . . . 1885--1901
Jorge E. Macías-Díaz   An efficient and fully explicit model to
                                  simulate delayed activator-inhibitor
                                  systems with anomalous diffusion . . . . 1902--1923
                  Qian Dong and   
   Ariadna J. Torres-Arenas and   
                Guo-Hua Sun and   
           O. Camacho-Nieto and   
               Smain Femmam and   
                   Shi-Hai Dong   Exact solutions of the sine hyperbolic
                                  type potential . . . . . . . . . . . . . 1924--1931
                 Ji-Huan He and   
                      Fei-Yu Ji   Taylor series solution for Lane--Emden
                                  equation . . . . . . . . . . . . . . . . 1932--1934
               Elif Somuncu and   
                  Feda Oner and   
                Metin Orbay and   
            Bahtiyar A. Mamedov   A comparative evaluation of speed of
                                  sound and specific heat capacities of
                                  gases by using the quantum mechanical
                                  and classical second virial coefficients 1935--1948
               Hongxia Wang and   
               Qingyuan Xia and   
                        Hui Liu   Quick estimation of $ f(E) $ in the
                                  distributed activation energy model
                                  (DAEM): an inverse problem approach  . . 1949--1972
     Valdas Laurinavi\vcius and   
        Feliksas Ivanauskas and   
         Anatolij Ne\vciporenko   Drug delivery mathematical modeling for
                                  pressure controlled bioreactor . . . . . 1973--1982
                  Jieyin Lv and   
                    T. E. Simos   A Runge--Kutta type crowded in phase
                                  algorithm for quantum chemistry problems 1983--2006
                    Ji-Teng Jia   On a structure-preserving matrix
                                  factorization for the determinants of
                                  cyclic pentadiagonal Toeplitz matrices   2007--2017

Journal of Mathematical Chemistry
Volume 57, Number 9, October, 2019

                 Junlai Qiu and   
               Junjie Huang and   
                    T. E. Simos   A perfect in phase FD algorithm for
                                  problems in quantum chemistry  . . . . . 2019--2048
              Xunying Zhang and   
                    T. E. Simos   A multiple stage absolute in phase
                                  scheme for chemistry problems  . . . . . 2049--2074
                 Ji-Huan He and   
                      Chang Sun   A variational principle for a thin film
                                  equation . . . . . . . . . . . . . . . . 2075--2081
            Dzevad Belki\'c and   
                 Karen Belki\'c   Automatic self-correcting in signal
                                  processing for magnetic resonance
                                  spectroscopy: noise reduction,
                                  resolution improvement and splitting
                                  overlapped peaks . . . . . . . . . . . . 2082--2109
                     Genyuan Li   Molecular discovery by optimal
                                  sequential search  . . . . . . . . . . . 2110--2141
             Hiteshi Tandon and   
         Tanmoy Chakraborty and   
                  Vandana Suhag   A new scale of atomic static dipole
                                  polarizability invoking other periodic
                                  descriptors  . . . . . . . . . . . . . . 2142--2153
                 Re-Bing Wu and   
                Qiuyang Sun and   
                 Tak-san Ho and   
                Herschel Rabitz   Inherently trap-free convex landscapes
                                  for fully quantum optimal control  . . . 2154--2167

Journal of Mathematical Chemistry
Volume 57, Number 10, November, 2019

            M. G. Tokmachev and   
                 N. A. Tikhonov   Simulation of capacitive deionization
                                  accounting the change of Stern layer
                                  thickness  . . . . . . . . . . . . . . . 2169--2181
   Ramon Carbó-Dorca and   
             Tanmoy Chakraborty   Hypercubes defined on $n$-ary sets, the
                                  Erd\Hos--Faber--Lovász conjecture on
                                  graph coloring, and the description
                                  spaces of polypeptides and RNA . . . . . 2182--2194
       John C. Grifall-Sabo and   
              Trenner Nolan and   
            Matthew M. Beck and   
          Christopher J. Barile   Kinetic modeling of electrocatalytic
                                  oxygen reduction products from
                                  lipid-modified electrodes  . . . . . . . 2195--2207
        Marina A. Medvedeva and   
                    T. E. Simos   An accomplished phase FD process for DEs
                                  in chemistry . . . . . . . . . . . . . . 2208--2228
           F. R. R. Padilha and   
               A. L. De Bortoli   Solutions for a laminar jet diffusion
                                  flame of methyl formate using a skeletal
                                  mechanism obtained by applying ANNs  . . 2229--2247
                Hanlin Chen and   
                     Qiuzhi Guo   Tutte polynomials of alternating
                                  polycyclic chains  . . . . . . . . . . . 2248--2260


Journal of Mathematical Chemistry
Volume 58, Number 1, January, 2020

       Ramon Carbó-Dorca   Cantor-like transfinite sequences and
                                  Gödel-like incompleteness revealed by
                                  means of Mersenne transfinite
                                  dimensional boolean hypercube
                                  concatenation  . . . . . . . . . . . . . 1--5
                   Yu-Yu Ma and   
             Chia-Liang Lin and   
                    T. E. Simos   An integrated in phase FD procedure for
                                  DiffEqns in chemical problems  . . . . . 6--28
                   Renato Lemus   An algebraic approach to calculate
                                  Franck--Condon factors . . . . . . . . . 29--55
         Bryan S. Hernandez and   
         Eduardo R. Mendoza and   
      Aurelio A. de los Reyes V   A computational approach to
                                  multistationarity of power-law kinetic
                                  systems  . . . . . . . . . . . . . . . . 56--87
                M. G. Marmorino   Upper and lower bounds to atomic radial
                                  position moments . . . . . . . . . . . . 88--113
                  Ch. Tsitouras   Eighth order, phase-fitted, six-step
                                  methods for solving $ y^{\prime \prime }
                                  = f(x, y) $  . . . . . . . . . . . . . . 114--125
                   P. Ghosh and   
                   J. F. Peters   Impulsive differential equation model in
                                  methanol poisoning detoxification  . . . 126--145
            Dzevad Belki\'c and   
                 Karen Belki\'c   Feasibility study for applying the
                                  lower-order derivative fast Padé
                                  transform to measured time signals . . . 146--177
                  A. Konguetsof   Algorithm for the development of
                                  families of numerical methods based on
                                  phase-lag Taylor series  . . . . . . . . 178--203
       Krishnan Balasubramanian   Computational combinatorics of
                                  hyperplane colorings of 6D-hypercube for
                                  all irreducible representations and
                                  applications . . . . . . . . . . . . . . 204--272
            L. Bayón and   
           P. Fortuny Ayuso and   
                 J. M. Grau and   
                 M. M. Ruiz and   
            P. M. Suárez   Irreversible linear pathways in
                                  enzymatic reactions: analytical solution
                                  using the homotopy perturbation method   273--291
Vladimír Krajnák and   
                Holger Waalkens   Phase space structures causing the
                                  reaction rate decrease in the collinear
                                  hydrogen exchange reaction . . . . . . . 292--339
Zsuzsanna É. Mihálka and   
Ádám Margócsy and   
      Ágnes Szabados and   
  Péter R. Surján   On the variational principle for the
                                  non-linear Schrödinger equation . . . . . 340--351

Journal of Mathematical Chemistry
Volume 58, Number 2, February, 2020

                  Sheng Hao and   
                    T. E. Simos   A phase fitted FinDiff process for
                                  DifEquns in quantum chemistry  . . . . . 353--381
         Sasipim Putthikorn and   
           Pornrat Ruengrot and   
              Duangkamon Baowan   Energy behaviour of Doxorubicin
                                  interacting with peptide nanotubes . . . 382--392
                    Wei Hua and   
               Shi Xing Liu and   
                     Teng Zhang   Interferences and solitons in the
                                  Bose--Einstein condensates with two- and
                                  three-body interactions  . . . . . . . . 393--406
                  Xing Tong and   
                    T. E. Simos   A complete in phase FinitDiff procedure
                                  for DiffEquns in chemistry . . . . . . . 407--438
Juan A. Rodríguez-Velázquez and   
           Alexandru T. Balaban   Criteria for ranking (poly)cyclic
                                  chemical constitutional graphs and their
                                  vertices via centrality measures . . . . 439--457
       Krishnan Balasubramanian   Enumeration of relativistic states for
                                  superheavy and transactinide dimers in
                                  the periodic table . . . . . . . . . . . 458--496
     Luis Miguel Valenzuela and   
        Gamaliel Blé and   
             Manuel Falconi and   
                 David Guerrero   Hopf and Bautin bifurcations in a
                                  generalized Lengyel--Epstein system  . . 497--515
      Alexander B. Doktorov and   
        Alexander A. Kipriyanov   Theoretical investigation of exciplex
                                  generation under X-ray irradiation of
                                  non-polar solutions  . . . . . . . . . . 516--542

Journal of Mathematical Chemistry
Volume 58, Number 3, March, 2020

       Jesús Vigo-Aguiar   Guest Editor Foreword for CMMSE special
                                  issue of \booktitleJournal of
                                  Mathematical Chemistry . . . . . . . . . 543--543
   E. Urenda-Cázares and   
                A. Gallegos and   
J. E. Macías-Díaz   A mathematical model that combines
                                  chemotherapy and oncolytic virotherapy
                                  as an alternative treatment against a
                                  glioma . . . . . . . . . . . . . . . . . 544--554
     Francisco I. Chicharro and   
             Alicia Cordero and   
Tobías H. Martínez and   
             Juan R. Torregrosa   CMMSE-2019 mean-based iterative methods
                                  for solving nonlinear chemistry problems 555--572
     Francisco I. Chicharro and   
             Alicia Cordero and   
Tobías H. Martínez and   
             Juan R. Torregrosa   Correction to: Mean-based iterative
                                  methods for solving nonlinear chemistry
                                  problems . . . . . . . . . . . . . . . . 573--573
     S. Chandra Sekhara Rao and   
                Sunil Kumar and   
                 Joginder Singh   A discrete Schwarz waveform relaxation
                                  method of higher order for singularly
                                  perturbed parabolic reaction-diffusion
                                  problems . . . . . . . . . . . . . . . . 574--594
        Marina Trapeznikova and   
         Natalia Churbanova and   
                Anastasia Lyupa   CMMSE 2019: an explicit algorithm for
                                  the simulation of non-isothermal
                                  multiphase multicomponent flow in a
                                  porous medium  . . . . . . . . . . . . . 595--611
                  B. Datsko and   
                  M. Kutniv and   
                      A. W\loch   Mathematical modelling of pattern
                                  formation in activator-inhibitor
                                  reaction-diffusion systems with
                                  anomalous diffusion  . . . . . . . . . . 612--631
          Walter Carballosa and   
               Ana Granados and   
            Domingo Pestana and   
               Ana Portilla and   
       José M. Sigarreta   Relations between some topological
                                  indices and the line graph . . . . . . . 632--646
                  R. Akhrif and   
                 A. Kouibia and   
                     M. Pasadas   Approximation of generalized offset
                                  surfaces by bicubic splines  . . . . . . 647--662
                K. Aarthika and   
                 V. Shanthi and   
                  Higinio Ramos   A non-uniform difference scheme for
                                  solving singularly perturbed
                                  $1$D-parabolic
                                  reaction-convection-diffusion systems
                                  with two small parameters and
                                  discontinuous source terms . . . . . . . 663--685
                  P. Maroju and   
Á. A. Magreñán and   
    Í. Sarría and   
                Abhimanyu Kumar   Local convergence of fourth and fifth
                                  order parametric family of iterative
                                  methods in Banach spaces . . . . . . . . 686--705
         Ioannis K. Argyros and   
Á. Alberto Magreñán and   
              Daniel Moreno and   
                 Lara Orcos and   
           Juan Antonio Sicilia   Weaker conditions for inexact mutitpoint
                                  Newton-like methods  . . . . . . . . . . 706--716
                 Shiwei Liu and   
                 Juan Zheng and   
                   Yonglei Fang   Obrechkoff two-step method fitted with
                                  Fourier spectrum for undamped Duffing
                                  equation . . . . . . . . . . . . . . . . 717--734
Jorge E. Macías-Díaz and   
                 Ahmed S. Hendy   On the stability and convergence of an
                                  implicit logarithmic scheme for
                                  diffusion equations with nonlinear
                                  reaction . . . . . . . . . . . . . . . . 735--749

Journal of Mathematical Chemistry
Volume 58, Number 4, April, 2020

             Alicia Cordero and   
              Higinio Ramos and   
             Juan R. Torregrosa   Some variants of Halley's method with
                                  memory and their applications for
                                  solving several chemical problems  . . . 751--774
             S. Sáez and   
              R. de la Rosa and   
                   E. Recio and   
              T. M. Garrido and   
            M. S. Bruzón   Lie symmetries and conservation laws for
                                  a generalized $ (2 + 1)$-dimensional
                                  nonlinear evolution equation . . . . . . 775--798
            K. Khammahawong and   
                   P. Kumam and   
                   P. Chaipunya   On the convergence of splitting
                                  algorithm for mixed equilibrium problems
                                  on Hadamard manifolds  . . . . . . . . . 799--815
              I. K. Argyros and   
Á. A. Magreñán and   
  D. F. Yáñez and   
                  J. A. Sicilia   A new technique for studying the
                                  convergence of Newton's solver with real
                                  life applications  . . . . . . . . . . . 816--830
        M. S. Bruzón and   
       A. P. Márquez and   
                   E. Recio and   
              T. M. Garrido and   
                  R. de la Rosa   Potential systems of a Buckley--Leverett
                                  equation: Lie point symmetries and
                                  conservation laws  . . . . . . . . . . . 831--840
       Ali Saleh Alshomrani and   
             Ramandeep Behl and   
                      P. Maroju   Local convergence of parameter based
                                  method with six and eighth order of
                                  convergence  . . . . . . . . . . . . . . 841--853
             Ramandeep Behl and   
       Ali Saleh Alshomrani and   
                  Changbum Chun   A general class of optimal eighth-order
                                  derivative free methods for nonlinear
                                  equations  . . . . . . . . . . . . . . . 854--867
                 Ramandeep Behl   An efficient family of
                                  Chebyshev--Halley's methods for system
                                  of nonlinear equations . . . . . . . . . 868--885

Journal of Mathematical Chemistry
Volume 58, Number 5, May, 2020

       Chandan Raychaudhury and   
                    Debnath Pal   Usefulness of graph vertex complexity
                                  and class partial information content in
                                  explaining gas phase thermal entropy of
                                  chemical compounds . . . . . . . . . . . 887--892
     Almudena Antuña and   
          Juan L. G. Guirao and   
         Miguel A. López   Shannon--Whittaker--Kotel'nikov's
                                  theorem generalized revisited  . . . . . 893--905
                    Li Wang and   
               Junpeng Kang and   
                  Jiping Xu and   
               Huiyan Zhang and   
                Xiaoyi Wang and   
                  Jiabin Yu and   
                   Qian Sun and   
                     Zhiyao Zao   Early warning of cyanobacteria blooms
                                  outbreak based on stoichiometric
                                  analysis and catastrophe theory model    906--921
    Abd Elfattah T. Elgendy and   
     Abdel-Haleem Abdel-Aty and   
             Amr A. Youssef and   
         Moaiad A. A. Khder and   
               Khaled Lotfy and   
                     Saud Owyed   Exact solution of Arrhenius equation for
                                  non-isothermal kinetics at constant
                                  heating rate and n-th order of reaction  922--938
         Sadah A. Alkhateeb and   
                S. Abdel-Khalek   Some features of the nonlocal
                                  correlation and geometric phase of the
                                  quantum system in two-mode nondegenerate
                                  entangled states . . . . . . . . . . . . 939--949
                Ali Algarni and   
      Abdullah M. Almarashi and   
         G. A. Abd-Elmougod and   
              Z. A. Abo-Eleneen   Two compound Rayleigh lifetime
                                  distributions in analyses the jointly
                                  type-II censoring samples: DSGT2018  . . 950--966
                Pradip Roul and   
          V. M. K. Prasad Goura   A sixth order optimal B-spline
                                  collocation method for solving Bratu's
                                  problem  . . . . . . . . . . . . . . . . 967--988
                 C. O. Edet and   
               U. S. Okorie and   
                G. Osobonye and   
                 A. N. Ikot and   
               G. J. Rampho and   
                       R. Sever   Thermal properties of Deng--Fan--Eckart
                                  potential model using Poisson summation
                                  approach . . . . . . . . . . . . . . . . 989--1013
                D. J. Klein and   
                 T. Goswami and   
                    Y. P. Ortiz   Translationally symmetric graphene
                                  strips . . . . . . . . . . . . . . . . . 1014--1024
             Hiteshi Tandon and   
             Prabhat Ranjan and   
         Tanmoy Chakraborty and   
                  Vandana Suhag   Computation of absolute radii of 103
                                  elements of the periodic table in terms
                                  of nucleophilicity index . . . . . . . . 1025--1040
                   H. Alici and   
                  T. Tanriverdi   General solution of the Schrödinger
                                  equation for some trigonometric
                                  potentials . . . . . . . . . . . . . . . 1041--1057

Journal of Mathematical Chemistry
Volume 58, Number 6, June, 2020

              Xiaoping Chen and   
                    T. E. Simos   A phase fitted FiniteDiffr process for
                                  DiffrntEqutns in chemistry . . . . . . . 1059--1090
             Chia-Liang Lin and   
                    T. E. Simos   A complete in phase FiniteDiffrnc
                                  algorithm for DiffrntEqutins in
                                  chemistry  . . . . . . . . . . . . . . . 1091--1132
                Dzevad Belki\'c   Total cross sections in five methods for
                                  two-electron capture by alpha particles
                                  from helium: CDW-4B, BDW-4B, BCIS-4B,
                                  CDW--EIS-4B and CB1-4B . . . . . . . . . 1133--1176
              Antony Xavier and   
          Santiagu Theresal and   
             S. Maria Jesu Raja   Induced $H$-packing $k$-partition number
                                  for certain nanotubes and chemical
                                  graphs . . . . . . . . . . . . . . . . . 1177--1196
                  Zhen Zhao and   
                    Jun Luo and   
             Chia-Liang Lin and   
                    T. E. Simos   Full in phase finite difference
                                  algorithm for differential equations in
                                  quantum chemistry  . . . . . . . . . . . 1197--1218
              Dmitry Gromov and   
               Alexander Toikka   On an alternative formulation of the
                                  thermodynamic stability condition  . . . 1219--1229
                 K. Saranya and   
                   V. Mohan and   
                   L. Rajendran   Steady-state concentrations of carbon
                                  dioxide absorbed into phenyl glycidyl
                                  ether solutions by residual method . . . 1230--1246
            Stavros C. Farantos   Hamiltonian thermodynamics in the
                                  extended phase space: a unifying theory
                                  for non-linear molecular dynamics and
                                  classical thermodynamics . . . . . . . . 1247--1280
                   O. V. Shults   Method for calculating material balance
                                  of complex process flowcharts  . . . . . 1281--1290
                    K. Sayevand   On a flexible extended homotopy
                                  perturbation method and its applications
                                  in applied chemistry . . . . . . . . . . 1291--1305
                  Risong Li and   
                        Yu Zhao   Note on chaos of a coupled lattice
                                  system related with the
                                  Belusov--Zhabotinskii reaction . . . . . 1306--1311

Journal of Mathematical Chemistry
Volume 58, Number 7, August, 2020

                    Jun Luo and   
                  Zhen Zhao and   
             Chia-Liang Lin and   
                    T. E. Simos   Phase fitted method for quantum
                                  chemistry problems . . . . . . . . . . . 1313--1336
                 Jing Chang and   
       Ramon Carbó-Dorca   Fuzzy Hypercubes and their time-like
                                  evolution  . . . . . . . . . . . . . . . 1337--1344
                    Wei Gao and   
Juan Luis García Guirao and   
                     Hualong Wu   Nordhaus--Gaddum type inequalities for
                                  some distance-based indices of bipartite
                                  molecular graphs . . . . . . . . . . . . 1345--1352
   Michael V. Vigdorowitsch and   
     Liudmila E. Tsygankova and   
     Vyacheslav D. Prokhorenkov   The polylogarithmic adsorption function:
                                  a linear energetic surface heterogeneity 1353--1363
                Shinsaku Fujita   Symmtry-itemized enumeration of
                                  compounds derived from different $ \vec
                                  {I}_h $-skeletons by means of
                                  combined-permutation representations and
                                  newly-developed GAP functions  . . . . . 1364--1408
  Alejandro Morales-Bayuelo and   
 José Catalán and   
       Leonor Alvarado-Soto and   
   Rodrigo Ramírez-Tagle   Molecular quantum similarity studies and
                                  molecular properties of the tungsten
                                  intermediates [W$_6$I$_{14}$]$^{2-}$
                                  clusters . . . . . . . . . . . . . . . . 1409--1419
               Aleksandra Orpel   Existence and properties of solutions
                                  for boundary value problems based on the
                                  nonlinear reactor dynamics . . . . . . . 1420--1436
                 Kecai Deng and   
                     Shuchao Li   Extremal catacondensed benzenoids with
                                  respect to the Mostar index  . . . . . . 1437--1465
                Ji-Teng Jia and   
                Tomohiro Sogabe   Generalized Sherman--Morrison--Woodbury
                                  formula based algorithm for the inverses
                                  of opposite-bordered tridiagonal
                                  matrices . . . . . . . . . . . . . . . . 1466--1480
                 Yupeng Qin and   
                Qingjun Lou and   
                  Zhen Wang and   
                         Li Zou   Kudryashov and Sinelshchikov's method
                                  for solving the radial oscillation
                                  problem of multielectron bubbles in
                                  liquid helium  . . . . . . . . . . . . . 1481--1488
Almudena del Pilar Márquez and   
María de los Santos Bruzón   Conservation laws and symmetry analysis
                                  for a quasi-linear strongly-damped wave
                                  equation . . . . . . . . . . . . . . . . 1489--1498

Journal of Mathematical Chemistry
Volume 58, Number 8, September, 2020

        Marina A. Medvedeva and   
                    T. E. Simos   Phase fitted algorithm for problems in
                                  quantum chemistry  . . . . . . . . . . . 1499--1530
              V. Skakauskas and   
                   P. Katauskis   Modelling of the ``surface explosion''
                                  of the NO + H$_2$ reaction over
                                  supported catalysts  . . . . . . . . . . 1531--1547
               William R. Smith   A precise, simple and general Basic Le
                                  Châtelier Principle based on elementary
                                  calculus: What Le Châtelier had in mind?  1548--1570
                       M. Cinal   Highly accurate numerical solution of
                                  Hartree--Fock equation with
                                  pseudospectral method for closed-shell
                                  atoms  . . . . . . . . . . . . . . . . . 1571--1600
                Pradip Roul and   
          V. M. K. Prasad Goura   A Bessel collocation method for solving
                                  Bratu's problem  . . . . . . . . . . . . 1601--1614
                  Qamar Din and   
                  Kamran Haider   Discretization, bifurcation analysis and
                                  chaos control for Schnakenberg model . . 1615--1649
          Pakhapoom Sarapat and   
         Ngamta Thamwattana and   
              Duangkamon Baowan   Modelling carbon nanocones for selective
                                  filter . . . . . . . . . . . . . . . . . 1650--1662
                        Bin Lin   An efficient spline scheme of the
                                  coupled nonlinear Schrödinger equations   1663--1679
               Zenggui Wang and   
                    T. E. Simos   A finite difference method with zero
                                  phase-lag and its derivatives for
                                  quantum chemistry problems . . . . . . . 1680--1710
                Colin Adams and   
             Judah Devadoss and   
               Alireza Mashaghi   Knot theory for proteins: Gauss codes,
                                  quandles and bondles . . . . . . . . . . 1711--1736
    Sudharsan Thiruvengadam and   
             Matthew Murphy and   
                   Karol Miller   A generalised methodology using
                                  conformal geometric algebra for
                                  mathematical chemistry . . . . . . . . . 1737--1783

Journal of Mathematical Chemistry
Volume 58, Number 9, October, 2020

             Chia-Liang Lin and   
                    T. E. Simos   Complete in phase method for problems in
                                  chemistry  . . . . . . . . . . . . . . . 1785--1814
                 Jing Chang and   
       Ramon Carbó-Dorca   A quantum similarity discussion about
                                  Einstein--Podolsky--Rosen (EPR) paradox
                                  in Gaussian enfolded spaces  . . . . . . 1815--1827
                    Ji-Teng Jia   Numerical algorithms for the
                                  determinants of opposite-bordered and
                                  singly-bordered tridiagonal matrices . . 1828--1845
                  Qishun Li and   
                 Shuchao Li and   
                   Leilei Zhang   Two-point resistances in the generalized
                                  phenylenes . . . . . . . . . . . . . . . 1846--1873
                  Randhir Singh   An iterative technique for solving a
                                  class of local and nonlocal elliptic
                                  boundary value problems  . . . . . . . . 1874--1894
          David F. Anderson and   
           James D. Brunner and   
            Matthew D. Johnston   On classes of reaction networks and
                                  their associated polynomial dynamical
                                  systems  . . . . . . . . . . . . . . . . 1895--1925
    Sudharsan Thiruvengadam and   
             Matthew Murphy and   
                   Karol Miller   A Clifford Algebra-based mathematical
                                  model for the determination of critical
                                  temperatures in superconductors  . . . . 1926--1986
Mohammad Mehdizadeh Khalsaraei and   
                 Ali Shokri and   
                  Maryam Molayi   The new class of multistep
                                  multiderivative hybrid methods for the
                                  numerical solution of chemical stiff
                                  systems of first order IVPs  . . . . . . 1987--2012
 Y. Guerrero-Sánchez and   
M. Fernández-Martínez and   
F. J. Gómez-García   Chemical effect of bisphosphonates on
                                  the bone trabeculate of jaws via fractal
                                  dimension  . . . . . . . . . . . . . . . 2013--2023
          Maxim A. Medvedev and   
                    T. E. Simos   A finite difference method with
                                  phase-lag and its derivatives equal to
                                  zero for problems in chemistry . . . . . 2024--2060
          Michael F. Adamer and   
                  Martin Helmer   Families of toric chemical reaction
                                  networks . . . . . . . . . . . . . . . . 2061--2093
  Francisco M. Fernández   Algebraic treatment of non-Hermitian
                                  quadratic Hamiltonians . . . . . . . . . 2094--2107
                 Fengwei Li and   
                Xueliang Li and   
                  Hajo Broersma   Spectral properties of inverse sum indeg
                                  index of graphs  . . . . . . . . . . . . 2108--2139
           Rajamanickam Murugan   Theory of transcription bursting:
                                  stochasticity in the transcription rates 2140--2187
             Hiteshi Tandon and   
         Tanmoy Chakraborty and   
                  Vandana Suhag   A fundamental approach to compute atomic
                                  electrophilicity index . . . . . . . . . 2188--2196

Journal of Mathematical Chemistry
Volume 58, Number 10, November, 2020

                  Qian Dong and   
                Guo-Hua Sun and   
                   Shi-Hai Dong   Semi-exact solutions of sextic potential
                                  plus a centrifugal term  . . . . . . . . 2197--2203
              Tomislav Dosli\'c   Nice pairs of odd cycles in fullerene
                                  graphs . . . . . . . . . . . . . . . . . 2204--2222
          Tomislav Dosli\'c and   
     Meysam Taheri-Dehkordi and   
      Gholam Hossein Fath-Tabar   Packing stars in fullerenes  . . . . . . 2223--2244
                 Ji-Huan He and   
                Yusry O. El-Dib   Homotopy perturbation method for Fangzhu
                                  oscillator . . . . . . . . . . . . . . . 2245--2253
                 Yavuz Dede and   
              Soydan Yalcin and   
            Muhammed Buyuktemiz   Excited state structures projected onto
                                  two dimensions: correlations with
                                  luminescent behavior . . . . . . . . . . 2254--2272
          Walter Carballosa and   
            Domingo Pestana and   
              Eva Tourís   Relations between the general sum
                                  connectivity index and the line graph    2273--2290
             Anjali Awasthi and   
               Vikash Verma and   
                Aashees Awasthi   Nonlinear ultrasound propagation in
                                  formamide +
                                  $2$-methoxyethanol/2-ethoxyethanol
                                  solvent systems at temperatures ranging
                                  from 303.15 to 323.15 K  . . . . . . . . 2291--2312
               M. Archibald and   
                  S. Currie and   
                    M. Nowaczyk   Finding the hole in a wall . . . . . . . 2313--2323
          Maxim A. Medvedev and   
                    T. E. Simos   New FD scheme with vanished phase-lag
                                  and its derivatives up to order six for
                                  problems in chemistry  . . . . . . . . . 2324--2360
               Zenggui Wang and   
                    T. E. Simos   A new algorithm with eliminated
                                  phase-lag and its derivatives up to
                                  order five for problems in quantum
                                  chemistry  . . . . . . . . . . . . . . . 2361--2398
                   A. Popov and   
                       V. Popov   Calculation of lattice sums of general
                                  type . . . . . . . . . . . . . . . . . . 2399--2414
                 S. Sáez   Symmetry analysis of a generalized 2D
                                  Zakharov--Kuznetsov-Burgers equation
                                  with a variable dissipation  . . . . . . 2415--2424


Journal of Mathematical Chemistry
Volume 59, Number 1, January, 2021

                   Josef Paldus   Matrix elements of unitary group
                                  generators in many-fermion correlation
                                  problem. I. Tensorial approaches . . . . 1--36
                   Josef Paldus   Matrix elements of unitary group
                                  generators in many-fermion correlation
                                  problem. II. Graphical methods of spin
                                  algebras . . . . . . . . . . . . . . . . 37--71
                   Josef Paldus   Matrix elements of unitary group
                                  generators in many-fermion correlation
                                  problem. III. Green--Gould approach  . . 72--118
            L. Bayón and   
           P. Fortuny Ayuso and   
                   P. M. Suarez   Using the blow-up technique for a
                                  modified Lindemann mechanism . . . . . . 119--130
           Irene Luque Ruiz and   
Miguel Ángel Gómez-Nieto   Improvement the performance of the
                                  classification models of
                                  Cyclooxygenase-2 inhibitors using
                                  undersampling methods based on the
                                  rivality and reliability indexes . . . . 131--160
                Paolo Amore and   
  Francisco M. Fernández   Energy levels of a coupled-rotors model  161--167
              Romas Baronas and   
               Juozas Kulys and   
              Linas Petkevicius   Modeling carbohydrates oxidation by
                                  oxygen catalyzed by bienzyme glucose
                                  dehydrogenase/laccase system immobilized
                                  into microreactor with carbon nanotubes  168--185
         Meenakshi Shivhare and   
 Pramod Chakravarthy Podila and   
                 Devendra Kumar   A uniformly convergent quadratic
                                  B-spline collocation method for
                                  singularly perturbed parabolic partial
                                  differential equations with two small
                                  parameters . . . . . . . . . . . . . . . 186--215
                  Sudi Mungkasi   Numerical verification of the orders of
                                  accuracy of truncated asymptotic
                                  expansion solutions to the van der Pol
                                  equation . . . . . . . . . . . . . . . . 216--223
                 Ali Shokri and   
 Mohammad Mehdizadeh Khalsaraei   A new implicit high-order six-step
                                  singularly P-stable method for the
                                  numerical solution of Schrödinger
                                  equation . . . . . . . . . . . . . . . . 224--249
               Vesna Andova and   
                Martin Knor and   
               Riste Skrekovski   Distance based indices in nanotubical
                                  graphs: part 3 . . . . . . . . . . . . . 250--263
                Artur Bille and   
          Victor Buchstaber and   
                Evgeny Spodarev   Spectral clustering of combinatorial
                                  fullerene isomers based on their facet
                                  graph structure  . . . . . . . . . . . . 264--288
Charles-Émile Fecteau and   
Frédéric Berthiaume and   
            Paul Andrew Johnson   Richardson--Gaudin geminal wavefunctions
                                  in a Slater determinant basis  . . . . . 289--301

Journal of Mathematical Chemistry
Volume 59, Number 2, February, 2021

                 J. Morales and   
          J. J. Peña and   
        J. García-Ravelo   On the improvement of q -deformed
                                  hyperbolic functions . . . . . . . . . . 303--314
       Krishnan Balasubramanian   Combinatorial enumeration of
                                  relativistic states of actinide dimers   315--363
            Dzevad Belki\'c and   
                 Karen Belki\'c   Derivative NMR spectroscopy for
                                  $J$-coupled multiplet resonances using
                                  short time signals (0.5 KB) encoded at
                                  low magnetic field strengths (1.5T).
                                  Part I: water suppressed . . . . . . . . 364--404
            Dzevad Belki\'c and   
                 Karen Belki\'c   Derivative NMR Spectroscopy for
                                  $J$-Coupled Multiplet Resonances using
                                  Short Time Signals (0.5KB) Encoded at
                                  Low Magnetic Field Strengths (1.5T).
                                  Part II: Water Unsuppressed  . . . . . . 405--443
             Marcin Buchowiecki   Analytical Non-Boltzmann vibrational
                                  distributions and their influence on
                                  vibrational partition function . . . . . 444--458
                 Peng Zhang and   
                    Ping Li and   
            Alirio E. Rodrigues   Modeling Riemann--Liouville fractional
                                  differential equations for diffusion and
                                  reaction in fractal porous media . . . . 459--475
        Izudin Redzepovi\'c and   
                  Boris Furtula   Comparative study on structural
                                  sensitivity of eigenvalue-based
                                  molecular descriptors  . . . . . . . . . 476--487
        Juan J. Torres-Vega and   
      Gustavo E. Massaccesi and   
                Diego R. Alcoba   Symmetry-adapted formulation of the
                                  hybrid treatment resulting from the
                                  $G$-particle-hole Hypervirial equation
                                  and equations of motion methods: a
                                  procedure for modeling solids  . . . . . 488--504
                Yiting Wang and   
                      Jing Kong   Efficient spherical surface integration
                                  of Gauss functions in three-dimensional
                                  spherical coordinates and the solution
                                  for the modified Bessel function of the
                                  first kind . . . . . . . . . . . . . . . 505--515
                Huihui Zhou and   
                    Yun Han and   
                       Rui Yuan   Anticipated backward stochastic
                                  differential equations with
                                  non-Lipschitz coefficients . . . . . . . 516--528
                Haizhen Ren and   
                  Deqing Xu and   
                   Weiling Yang   The Tutte polynomials of catacondensed
                                  benzenoid systems  . . . . . . . . . . . 529--541
                    Ye Tian and   
                      Biao Zhao   On the Clar number of graphene fragment  542--553
               G. Hariharan and   
             G. Swaminathan and   
                    B. Sripathy   An efficient operational matrix approach
                                  for the solutions of Burgers' and
                                  fractional Burgers' equations using
                                  wavelets . . . . . . . . . . . . . . . . 554--573

Journal of Mathematical Chemistry
Volume 59, Number 3, March, 2021

       Konstantin Fackeldey and   
            Jonas Röhm and   
                   Marcus Weber   Analyzing Raman spectral data without
                                  separabiliy assumption . . . . . . . . . 575--596
          Maxim A. Medvedev and   
                    T. E. Simos   Efficient FinDiff algorithm with optimal
                                  phase properties for problems in quantum
                                  chemistry  . . . . . . . . . . . . . . . 597--640
               Zenggui Wang and   
                    T. E. Simos   New FD methods with phase-lag and its
                                  derivatives equal to zero for periodic
                                  initial value problems . . . . . . . . . 641--675
           R. Sundara Rajan and   
         K. Jagadeesh Kumar and   
       Krishnan Balasubramanian   Biochemical and phylogenetic networks
                                  --- I: hypertrees and corona products    676--698
           R. Sundara Rajan and   
         A. Arul Shantrinal and   
       Krishnan Balasubramanian   Biochemical and phylogenetic networks
                                  --- II: X-trees and phylogenetic trees   699--718
                  Guanru Li and   
                Lily Li Liu and   
                        Yi Wang   Analytic properties of sextet
                                  polynomials of hexagonal systems . . . . 719--734
                     Yuting Zuo   A gecko-like fractal receptor of a
                                  three-dimensional printing technology: a
                                  fractal oscillator . . . . . . . . . . . 735--744
                Ji-Teng Jia and   
                Yu-Cong Yan and   
                          Qi He   A block diagonalization based algorithm
                                  for the determinants of block
                                  $k$-tridiagonal matrices . . . . . . . . 745--756
             Skander Belhaj and   
                 Fahd Hcini and   
                    Yulin Zhang   A fast algorithm for solving diagonally
                                  dominant symmetric quasi-pentadiagonal
                                  Toeplitz linear systems  . . . . . . . . 757--774
        Ricardo Abreu-Blaya and   
              Rosalio Reyes and   
       José M. Sigarreta   Inequalities on the generalized atom
                                  bond connectivity index  . . . . . . . . 775--791
             Andrea Cassani and   
      Alessandro Monteverde and   
                 Marco Piumetti   Belousov--Zhabotinsky type reactions:
                                  the non-linear behavior of chemical
                                  systems  . . . . . . . . . . . . . . . . 792--826
Jorge E. Macías-Díaz and   
María G. Medina-Guevara and   
Héctor Vargas-Rodríguez   Exact solutions of non-linear
                                  Klein--Gordon equation with non-constant
                                  coefficients through the trial equation
                                  method . . . . . . . . . . . . . . . . . 827--839
         Bryan S. Hernandez and   
             Eduardo R. Mendoza   Positive equilibria of Hill-type kinetic
                                  systems  . . . . . . . . . . . . . . . . 840--870

Journal of Mathematical Chemistry
Volume 59, Number 4, April, 2021

                 Sakander Hayat   The anti-Kekulé number of graphs  . . . . 871--941
               Marie Kramer and   
              Dieter Rautenbach   Minimum distance-unbalancedness of trees 942--950
             Chia-Liang Lin and   
                    T. E. Simos   A new finite difference method with
                                  optimal phase and stability properties
                                  for problems in chemistry  . . . . . . . 951--984
   Patrick Cassam-Chena\"\i and   
                  Gilles Lebeau   Smeared Coulomb potential orbitals: I
                                  --- asymptotic expansion . . . . . . . . 985--1013
          Shalini Chaudhary and   
            Abhay Chaudhary and   
             Tanmoy Chakraborty   Theoretical computation of normalised
                                  radii, density and global hardness as a
                                  function of orbital exponent . . . . . . 1014--1028
       Ramon Carbó-Dorca   Generalized scalar products in Minkowski
                                  metric spaces  . . . . . . . . . . . . . 1029--1045
                 Yupeng Qin and   
                    Qingjun Lou   Differential transform method for the
                                  solutions to some initial value problems
                                  in chemistry . . . . . . . . . . . . . . 1046--1053
             N. A. Tikhonov and   
            M. G. Tokmachev and   
                R. Kh. Khamizov   Modeling the process of capacitive
                                  deionization of solutions at supposing
                                  complex structure of the pores of the
                                  electrodes . . . . . . . . . . . . . . . 1054--1067
                    Yao Shi and   
                   Qian Cao and   
                    Yunfeng Jia   Steady-state solutions of the templator
                                  model in chemical self-replication . . . 1068--1097
               Roberto Cruz and   
                      Juan Rada   Extremal values of the Sombor index in
                                  unicyclic and bicyclic graphs  . . . . . 1098--1116
               Julee Shahni and   
                  Randhir Singh   Numerical solution of system of
                                  Emden--Fowler type equations by
                                  Bernstein collocation method . . . . . . 1117--1138
                 Ji-Huan He and   
                Yusry O. El-Dib   Homotopy perturbation method with three
                                  expansions . . . . . . . . . . . . . . . 1139--1150
       Ramon Carbó-Dorca   About the construction of probability
                                  hypercubes . . . . . . . . . . . . . . . 1151--1154

Journal of Mathematical Chemistry
Volume 59, Number 5, May, 2021

             Chia-Liang Lin and   
                    T. E. Simos   A new method with vanished phase-lag and
                                  its derivatives of the highest order for
                                  problems in quantum chemistry  . . . . . 1155--1200
          Maxim A. Medvedev and   
                    T. E. Simos   A new FinDiff numerical scheme with
                                  phase-lag and its derivatives equal to
                                  zero for periodic initial value problems 1201--1233
            Muhammad Nadeem and   
                     Ji-Huan He   He-Laplace variational iteration method
                                  for solving the nonlinear equations
                                  arising in chemical kinetics and
                                  population dynamics  . . . . . . . . . . 1234--1245
  R. Aguilar-Sánchez and   
J. A. Méndez-Bermúdez and   
       José M. Sigarreta   Analytical and statistical studies of
                                  Rodriguez--Velazquez indices . . . . . . 1246--1259
                 Gunter Neumann   Some consequences of thermodynamic
                                  feasibility for chemical reaction
                                  networks . . . . . . . . . . . . . . . . 1260--1282
              Milen Borisov and   
               Svetoslav Markov   The two-step exponential decay reaction
                                  network: analysis of the solutions and
                                  relation to epidemiological SIR models
                                  with logistic and Gompertz type
                                  infection contact patterns . . . . . . . 1283--1315
               Yaxian Zhang and   
                   Heping Zhang   Nice pairs of disjoint pentagons in
                                  fullerene graphs . . . . . . . . . . . . 1316--1331
          S. Vinolyn Sylvia and   
              R. Joy Salomi and   
               Marwan Abukhaled   Solving nonlinear reaction-diffusion
                                  problem in electrostatic interaction
                                  with reaction-generated pH change on the
                                  kinetics of immobilized enzyme systems
                                  using Taylor series method . . . . . . . 1332--1347
             Sergio Bermudo and   
        Robinson A. Higuita and   
                      Juan Rada   Domination number of catacondensed
                                  hexagonal systems  . . . . . . . . . . . 1348--1367
               Daniel Pasca and   
            Cristina Stoica and   
           Cláudia Valls   Anisotropic two-body problem under the
                                  Buckingham potential . . . . . . . . . . 1368--1377
                Junqing Cai and   
                Panpan Wang and   
                   Linlin Zhang   Harary index of Eulerian graphs  . . . . 1378--1394

Journal of Mathematical Chemistry
Volume 59, Number 6, June, 2021

                   Yu-Yu Ma and   
             Chia-Liang Lin and   
                    T. E. Simos   A new economical method with eliminated
                                  phase-lag and its derivative for
                                  problems in chemistry  . . . . . . . . . 1395--1428
          Santiagu Theresal and   
              Antony Xavier and   
             S. Maria Jesu Raja   Induced $H$-packing $k$-partition
                                  problem in certain carbon based
                                  nanostructures . . . . . . . . . . . . . 1429--1449
       Ramon Carbó-Dorca   Enfolding $N$-dimensional Euclidean
                                  spaces with $N$-dimensional spheres as a
                                  framework to define the structure of
                                  time foam  . . . . . . . . . . . . . . . 1450--1455
              V. Skakauskas and   
                   P. Katauskis   Modelling reduction of nitric oxide by
                                  hydrogen over supported catalysts  . . . 1456--1473
                    Pavel Holba   Nonexistence of local conservation laws
                                  for generalized Swift--Hohenberg
                                  equation . . . . . . . . . . . . . . . . 1474--1478
        J.-C. Cortés and   
          A. Navarro-Quiles and   
           M.-D. Roselló   A full probabilistic analysis of a
                                  randomized kinetic model for
                                  reaction--deactivation of hydrogen
                                  peroxide decomposition with applications
                                  to real data . . . . . . . . . . . . . . 1479--1497
            Dejan \'Cebi\'c and   
           Nebojsa M. Ralevi\'c   Mean-based iterative methods for finding
                                  multiple roots in nonlinear chemistry
                                  problems . . . . . . . . . . . . . . . . 1498--1519
                    Ivan Gutman   Relation between geometric-arithmetic
                                  and arithmetic-geometric indices . . . . 1520--1525
      Vladimir R. Rosenfeld and   
                     Yujun Yang   Close-to-zero eigenvalues of the rooted
                                  product of graphs  . . . . . . . . . . . 1526--1535
                  Shyam Lal and   
                   Priya Kumari   Approximation of functions of Lipschitz
                                  class and solution of Fokker--Planck
                                  equation by two-dimensional Legendre
                                  wavelet operational matrix . . . . . . . 1536--1550
          Vladimir R. Rosenfeld   The spectrum of the vertex
                                  quadrangulation of a 4-regular toroidal
                                  graph and beyond . . . . . . . . . . . . 1551--1569

Journal of Mathematical Chemistry
Volume 59, Number 7, August, 2021

                Xingyuan Li and   
             Chia-Liang Lin and   
                    T. E. Simos   A new method with improved phase-lag and
                                  stability properties for problems in
                                  quantum chemistry --- an economical case 1571--1602
       Gopalapillai Indulal and   
                  Liju Alex and   
                    Ivan Gutman   On graphs preserving PI index upon edge
                                  removal  . . . . . . . . . . . . . . . . 1603--1609
                      Swati and   
              Mandeep Singh and   
                Karanjeet Singh   Uniform Haar wavelet technique with
                                  Newton's method for a kind of derivative
                                  dependent SBVPs  . . . . . . . . . . . . 1610--1637
     Rajendrasinh H. Parmar and   
               P. C. Vinodkumar   Eigensolution of the Klein--Gordon
                                  equation for modified Yukawa--Kratzer
                                  potential and its applications using
                                  parametric Nikiforov--Uvarov and SUSYQM
                                  method . . . . . . . . . . . . . . . . . 1638--1703
        Marina A. Medvedeva and   
                    T. E. Simos   An economical two-step method with
                                  improved phase and stability properties
                                  for problems in chemistry  . . . . . . . 1704--1737
            Zheng Mingliang and   
                    T. E. Simos   A new improved economical finite
                                  difference method for problems in
                                  quantum chemistry  . . . . . . . . . . . 1738--1766
                     Xin He and   
                   Heping Zhang   Complete forcing numbers of hexagonal
                                  systems  . . . . . . . . . . . . . . . . 1767--1784
                 P. F. Zhuk and   
                 S. O. Karakhim   Extreme properties of the initial rate
                                  of the four-stage reaction of enzyme
                                  catalyzed ATP hydrolysis . . . . . . . . 1785--1807
        Rebeka Szabó and   
             Gábor Lente   General nucleation-growth type kinetic
                                  models of nanoparticle formation:
                                  possibilities of finding analytical
                                  solutions  . . . . . . . . . . . . . . . 1808--1821
             N. Flores-Gallegos   $q$-Rényi's entropy as a possible measure
                                  of electron correlation  . . . . . . . . 1822--1835

Journal of Mathematical Chemistry
Volume 59, Number 8, September, 2021

             G. Swaminathan and   
               G. Hariharan and   
                  S. Bharatwaja   A new spectral collocation method for
                                  solving Bratu-type equations using
                                  Genocchi polynomials . . . . . . . . . . 1837--1850
   Ramon Carbó-Dorca and   
     Sebastián Reyes and   
            Alfonso Niño   Extension of Fermat's last theorem in
                                  Minkowski natural spaces . . . . . . . . 1851--1863
                     Luca Nanni   Solving the Schrödinger equation of an
                                  electron in a periodic crystal potential
                                  through elliptic functions . . . . . . . 1864--1874
   Ramon Carbó-Dorca and   
             Tanmoy Chakraborty   Extended Minkowski spaces, zero norms,
                                  and Minkowski hypersurfaces  . . . . . . 1875--1879
          Maxim A. Medvedev and   
                    T. E. Simos   Two-step method with vanished phase-lag
                                  and its derivatives for problems in
                                  quantum chemistry: an economical case    1880--1916
               Huseyin Tunc and   
                     Murat Sari   A stability preserved time-integration
                                  method for nonlinear
                                  advection--diffusion--reaction processes 1917--1937
        Marina A. Medvedeva and   
                    T. E. Simos   An economical two-step method with
                                  optimal phase and stability properties
                                  for problems in chemistry  . . . . . . . 1938--1975

Journal of Mathematical Chemistry
Volume 59, Number 9, October, 2021

                Pradip Roul and   
             Trishna Kumari and   
          V. M. K. Prasad Goura   An efficient numerical approach for
                                  solving a general class of nonlinear
                                  singular boundary value problems . . . . 1977--1993
               G. Hariharan and   
                       S. Padma   Wavelet method for steady state
                                  immobilized enzyme kinetic model: an
                                  operational matrix approach  . . . . . . 1994--2008
          Pagdame Tiebekabe and   
               Isma\"\ila Diouf   Linear forms in logarithms and the
                                  mathematical method of diophantine
                                  equations: applications in chemistry and
                                  physics  . . . . . . . . . . . . . . . . 2009--2020
        M. M. Canedo Alonso and   
Jaime González Cuadra and   
J. L. González-Hernández   ANN-MATOPT hybrid algorithm:
                                  determination of kinetic and non-kinetic
                                  parameters in different reaction
                                  mechanisms . . . . . . . . . . . . . . . 2021--2048
             Alireza Aghili and   
        Nadezda Sukhorukova and   
                    Julien Ugon   Bivariate rational approximations of the
                                  general temperature integral . . . . . . 2049--2062
          David F. Anderson and   
                 Tung D. Nguyen   Deficiency zero for random reaction
                                  networks under a stochastic block model
                                  framework  . . . . . . . . . . . . . . . 2063--2097
           Alain J. Brizard and   
                Samuel M. Berry   Asymptotic limit-cycle analysis of
                                  oscillating chemical reactions . . . . . 2098--2132
            Dzevad Belki\'c and   
                 Karen Belki\'c   In vivo derivative NMR spectroscopy for
                                  simultaneous improvements of resolution
                                  and signal-to-noise-ratio: Case study,
                                  Glioma . . . . . . . . . . . . . . . . . 2133--2178
                  Marcin Molski   Minimum-uncertainty coherent states of
                                  the hyperbolic and trigonometric
                                  Rosen--Morse oscillators . . . . . . . . 2179--2191

Journal of Mathematical Chemistry
Volume 59, Number 10, November, 2021

             Mariusz Pawlak and   
              Marcin Stachowiak   Analytical angular solutions for the
                                  atom-diatom interaction potential in a
                                  basis set of products of two spherical
                                  harmonics: two approaches  . . . . . . . 2193--2205
              Pembe Ipek Al and   
           Zameddin I. Ismailov   On the spectral radius of antidiagonal
                                  block operator matrices  . . . . . . . . 2206--2217
            Dzevad Belki\'c and   
                 Karen Belki\'c   High-resolution at 3T for in vivo
                                  derivative NMR spectroscopy in medical
                                  diagnostics of ovarian tumor: exact
                                  quantification by shape estimations  . . 2218--2260
               Marie Kramer and   
              Dieter Rautenbach   Maximally distance-unbalanced trees  . . 2261--2269
                 Tsuyoshi Egawa   A new mathematical formula to link near
                                  equilibrium relaxation kinetics and
                                  conformational selection steps in
                                  enzymatic reactions  . . . . . . . . . . 2270--2283
                     Luca Nanni   A new approach to solve the Schrödinger
                                  equation with an anharmonic sextic
                                  potential  . . . . . . . . . . . . . . . 2284--2293
            Guillaume Dhont and   
   Patrick Cassam-Chena\"\i and   
  Frédéric Patras   Molien generating functions and
                                  integrity bases for the action of the $
                                  \mathrm {SO}(3) $ and $ \mathrm {O}(3) $
                                  groups on a set of vectors . . . . . . . 2294--2326
               Julee Shahni and   
                  Randhir Singh   Bernstein and Gegenbauer-wavelet
                                  collocation methods for Bratu-like
                                  equations arising in electrospinning
                                  process  . . . . . . . . . . . . . . . . 2327--2343
                 Xiaoxue Fu and   
                 Ranchao Wu and   
                    Hongxia Liu   Spatiotemporal complexity in a diffusive
                                  Brusselator model  . . . . . . . . . . . 2344--2367
Francisco M. Fernández and   
                  Javier Garcia   Comment on ``Differential transform
                                  method for the solutions to some initial
                                  value problems in chemistry''  . . . . . 2368--2372


Journal of Mathematical Chemistry
Volume 60, Number 1, January, 2022

          Maxim A. Medvedev and   
                    T. E. Simos   A phase-fitting singularly P-stable
                                  economical two-step method for problems
                                  in quantum chemistry . . . . . . . . . . 1--48
               Nolan Faught and   
               Mark Kempton and   
                   Adam Knudson   A 1-separation formula for the graph
                                  Kemeny constant and Braess edges . . . . 49--69
        Marina A. Medvedeva and   
                    T. E. Simos   A singularly $P$-stable two-step method
                                  with improved characteristics for
                                  problems in chemistry  . . . . . . . . . 70--91
          Alexander B. Doktorov   Long-term and short-term asymptotes of
                                  reaction rate constants in the presence
                                  of reactivity anisotropy . . . . . . . . 92--127
                Pradip Roul and   
                 Trishna Kumari   A quartic trigonometric B-spline
                                  collocation method for a general class
                                  of nonlinear singular boundary value
                                  problems . . . . . . . . . . . . . . . . 128--144
     Carlos Castro Perelman and   
       Ramon Carbó-Dorca   The Collatz conjecture and the quantum
                                  mechanical harmonic oscillator . . . . . 145--160
               Peter J. Knowles   The determination of point groups from
                                  imprecise molecular geometries . . . . . 161--171
Jurgita Dabulyte-Bagdonaviciene and   
       Anatolij Neciporenko and   
                Aivaras Kareiva   Influence of different diffusion rates
                                  of reaction reagents on the synthesis of
                                  yttrium aluminium garnet (YAG) . . . . . 172--183
                        Chen Li   Exact analytical ground state solution
                                  of 1D H$_2^+$ with soft Coulomb
                                  potential  . . . . . . . . . . . . . . . 184--194
            Matthew D. Johnston   Analysis of mass-action systems by split
                                  network translation  . . . . . . . . . . 195--218
              Zahari Zlatev and   
                 Ivan Dimov and   
            Ágnes Havasi   Efficient implementation of advanced
                                  Richardson Extrapolation in an
                                  atmospheric chemical scheme  . . . . . . 219--238
             N. Flores-Gallegos   Rényi's divergence as a chemical
                                  similarity criterion . . . . . . . . . . 239--254
  Francisco M. Fernández   Comment on ``He-Laplace variational
                                  iteration method for solving the
                                  nonlinear equations arising in chemical
                                  kinetics and population dynamics'' . . . 255--259

Journal of Mathematical Chemistry
Volume 60, Number 2, February, 2022

  Francisco M. Fernández   Comment on ``a new approach to solve the
                                  Schrödinger equation with an anharmonic
                                  sextic potential'' . . . . . . . . . . . 261--266
Zs. É. Mihálka and   
                 M. Nooijen and   
            P. R. Surján   The $ \gamma $ function in quantum
                                  theory II. Mathematical challenges and
                                  paradoxa . . . . . . . . . . . . . . . . 267--282
       Ramon Carbó-Dorca   Shadows' hypercube, vector spaces, and
                                  non-linear optimization of QSPR
                                  procedures . . . . . . . . . . . . . . . 283--310
        Marina A. Medvedeva and   
                    T. E. Simos   A two-step method singularly P-stable
                                  with improved properties for problems in
                                  quantum chemistry  . . . . . . . . . . . 311--336
                   Yan Zhao and   
               Yanying Wang and   
                     Huiyun Han   Topological data analysis for the energy
                                  and stability of endohedral
                                  metallofullerenes  . . . . . . . . . . . 337--352
       Ramon Carbó-Dorca   Determination of unknown molecular
                                  properties in molecular spaces . . . . . 353--359
              Varsha Kumari and   
            Tanupriya Singh and   
             Tanmoy Chakraborty   Atomic electronegativity based on
                                  hardness and floating spherical Gaussian
                                  orbital approach . . . . . . . . . . . . 360--372
            Dzevad Belki\'c and   
                 Karen Belki\'c   In vitro proton magnetic resonance
                                  spectroscopy at 14T for benign and
                                  malignant ovary: Part I, signal
                                  processing by the nonparametric fast Padé
                                  transform  . . . . . . . . . . . . . . . 373--416
           Jakub Vasícek   Symmetry nonintegrability for extended $
                                  K(m, n, p) $ equation  . . . . . . . . . 417--422
        Abdelouahed Kouibia and   
                 Miguel Pasadas   Reconstruction approximating method by
                                  biquadratic splines of offset surfaces
                                  holes  . . . . . . . . . . . . . . . . . 423--439
   Ramon Carbó-Dorca and   
                    Debraj Nath   Average energy and quantum similarity of
                                  a time dependent quantum system subject
                                  to Pöschl--Teller potential . . . . . . . 1--21
Alex Elías-Zúñiga and   
Oscar Martínez-Romero and   
    Luis Manuel Palacios-Pineda   Fractal equation of motion of a
                                  non-Gaussian polymer chain:
                                  investigating its dynamic fractal
                                  response using an ancient Chinese
                                  algorithm  . . . . . . . . . . . . . . . 461--473

Journal of Mathematical Chemistry
Volume 60, Number 3, March, 2022

           Dmitry Generalov and   
         Ekaterina Tsvetova and   
                    T. E. Simos   A two-step singularly P-stable method
                                  with high phase and large stability
                                  properties for problems in chemistry . . 475--501
          Vladimir R. Rosenfeld   The inertia and energy gap of a
                                  vertex-decorated graph with identically
                                  weighted `internal' edges and beyond . . 502--513
                Pradip Roul and   
          V. M. K. Prasad Goura   A fast numerical scheme for solving
                                  singular boundary value problems arising
                                  in various physical models . . . . . . . 514--541
                  Haoyu Lin and   
                 Heng Zhang and   
                      Shuya Liu   On the HOMFLY polynomials of even
                                  trigonal bipyramid links . . . . . . . . 542--554
  Francisco M. Fernández   The rotating harmonic oscillator
                                  revisited  . . . . . . . . . . . . . . . 555--561
          Adelaida O. Conza and   
    Álvaro L. de Bortoli   Modeling and simulation of diffusion
                                  flames of H$_2$ and methyl formate using
                                  the REDIM method . . . . . . . . . . . . 562--580
       Ramon Carbó-Dorca   A na\"\ive HMO study of the Casimir
                                  effect . . . . . . . . . . . . . . . . . 581--585
                     R. Murugan   Approximate solutions to the response
                                  time problems of transcription
                                  autoregulatory gene networks . . . . . . 586--604

Journal of Mathematical Chemistry
Volume 60, Number 4, April, 2022

                Guo-Hua Sun and   
                  Qian Dong and   
                   Shi-Hai Dong   Exact solutions of an asymmetric double
                                  well potential . . . . . . . . . . . . . 605--612
            Hirohiko Houjou and   
               Masataka Seshimo   Formulation of a phonon band calculation
                                  for molecular crystals using a
                                  coarse-grained coordinate approach under
                                  periodic boundary conditions . . . . . . 613--636
             Chia-Liang Lin and   
                    T. E. Simos   A multistep conditionally P-stable
                                  method with phase properties of high
                                  order for problems in quantum chemistry  637--665
                     Xin He and   
                   Heping Zhang   Complete forcing numbers of hexagonal
                                  systems II . . . . . . . . . . . . . . . 666--680
                Giorgio Celebre   Chiral symmetry breaking: Frank model
                                  for the evolution of homochirality
                                  described by population dynamics . . . . 681--694
             Jessie Abraham and   
         Micheal Arockiaraj and   
       Krishnan Balasubramanian   Graph entropies, enumeration of
                                  circuits, walks and topological
                                  properties of three classes of
                                  isoreticular metal organic frameworks    695--732
                 P. Amrutha and   
               T. Bakkyaraj and   
                      T. Geetha   Induced representations of Dihedral
                                  groups ($ D_n $) from its subgroups and
                                  to the Symmetric groups ($ S_n $):
                                  Applications to Nanotubes, Gel'fand
                                  states Tableaus and Spectroscopy . . . . 733--751
                       Suyu Mei   A machine learning framework for
                                  predicting synergistic and antagonistic
                                  drug combinatorial efficacy  . . . . . . 752--769

Journal of Mathematical Chemistry
Volume 60, Number 5, May, 2022

                 Hechao Liu and   
                Ivan Gutman and   
                    Yufei Huang   Sombor index: review of extremal results
                                  and bounds . . . . . . . . . . . . . . . 771--798
         Bryan S. Hernandez and   
             Eduardo R. Mendoza   Weakly reversible CF-decompositions of
                                  chemical kinetic systems . . . . . . . . 799--829
             Supriya Chatterjee   On the exact revival of Morse oscillator
                                  wave packets . . . . . . . . . . . . . . 830--840
            Azimberdy Besya and   
                    Shodhan Rao   The total quasi-steady-state for
                                  multiple alternative substrate reactions 841--861
               M. Archibald and   
                  S. Currie and   
                    M. Nowaczyk   Locating a double vacancy or
                                  Stone--Wales point defect on a hexagonal
                                  quantum grid . . . . . . . . . . . . . . 862--873
          Vladimir R. Rosenfeld   On using Brandt groupoids in
                                  physicochemical research . . . . . . . . 874--890
            Manuja Kothiyal and   
              Santosh Kumar and   
                     N. Sukumar   Investigation of chemical space networks
                                  using graph measures and random matrix
                                  theory . . . . . . . . . . . . . . . . . 891--914
               Youyang Yuan and   
                     Hui Lv and   
                    Qiang Zhang   Molecular device design based on
                                  chemical reaction networks: state
                                  feedback controller, static pre-filter,
                                  addition gate control system and
                                  full-dimensional state observer  . . . . 915--935

Journal of Mathematical Chemistry
Volume 60, Number 6, June, 2022

        Marina A. Medvedeva and   
                    T. E. Simos   A multistep method with optimal phase
                                  and stability properties for problems in
                                  quantum chemistry  . . . . . . . . . . . 937--968
               Daniel Huang and   
                 Chong Teng and   
          Jean-Baptiste Tristan   mad-GP: automatic differentiation of
                                  Gaussian processes for molecules and
                                  materials  . . . . . . . . . . . . . . . 969--1000
Gábor Szederkényi and   
       Bernadett Ács and   
  Mihály A. Vághy   Persistence and stability of a class of
                                  kinetic compartmental models . . . . . . 1001--1020
              Jesse Geneson and   
                   Shen-Fu Tsai   Peripherality in networks: theory and
                                  applications . . . . . . . . . . . . . . 1021--1079
              Wonsang Chung and   
                Yeounju Kim and   
                  Jeongmin Kwon   Laplace transform method in one
                                  dimensional quantum mechanics on the
                                  semi infinite axis . . . . . . . . . . . 1080--1088
                Debraj Nath and   
       Ramon Carbó-Dorca   Analysis of solutions of time-dependent
                                  Schrödinger equation of a particle
                                  trapped in a spherical box . . . . . . . 1089--1106
                 Rusen Kaya and   
                   Hasan Taseli   A Rayleigh--Ritz Method for Numerical
                                  Solutions of Linear Fredholm Integral
                                  Equations of the Second Kind . . . . . . 1107--1129

Journal of Mathematical Chemistry
Volume 60, Number 7, August, 2022

           Bholanath Mandal and   
               Douglas J. Klein   Dendrimer eigen-characteristics  . . . . 1131--1162
             Takahiro Nishiyama   Rod-packing arrangements of invariant
                                  tori in solenoidal vector fields with
                                  cubic symmetries . . . . . . . . . . . . 1163--1199
            Dzevad Belki\'c and   
                 Karen Belki\'c   In vitro proton magnetic resonance
                                  spectroscopy at 14T for benign and
                                  malignant ovary: Part II, Signal
                                  processing by the parametric fast Padé
                                  transform  . . . . . . . . . . . . . . . 1200--1271
    Adán Serna-Reyes and   
Jorge E. Mac\'ìas-D\'ìaz and   
           Armando Gallegos and   
                  Nuria Reguera   CMMSE: analysis and comparison of some
                                  numerical methods to solve a nonlinear
                                  fractional Gross--Pitaevskii system  . . 1272--1286
      Péter Lévay   Special entangled fermionic systems and
                                  exceptional symmetries . . . . . . . . . 1287--1313
               Komal Deswal and   
             Devendra Kumar and   
                 J. Vigo-Aguiar   Three-dimensional Haar wavelet method
                                  for singularly perturbed elliptic
                                  boundary value problems on non-uniform
                                  meshes . . . . . . . . . . . . . . . . . 1314--1336
       Richard M. Slevinsky and   
                 Hassan Safouhi   Compact formulae for three-center
                                  nuclear attraction integrals over
                                  exponential type functions . . . . . . . 1337--1355
             Kartikay Khari and   
                    Vivek Kumar   An efficient numerical technique for
                                  solving nonlinear singularly perturbed
                                  reaction diffusion problem . . . . . . . 1356--1382
          Maxim A. Medvedev and   
                    T. E. Simos   A phase-fitting and first derivative
                                  phase-fitting singularly $P$-stable
                                  economical two-step method for problems
                                  in quantum chemistry . . . . . . . . . . 1383--1404
             N. Flores-Gallegos   On the information balance in a simple
                                  chemical process . . . . . . . . . . . . 1405--1421
         Humberto G. Laguna and   
  Saúl J. C. Salazar and   
                 Robin P. Sagar   Information theoretical statistical
                                  discrimination measures for electronic
                                  densities  . . . . . . . . . . . . . . . 1422--1444
      Taisia Miroshnichenko and   
          Vladimir Gubernov and   
              Sergey Minaev and   
               Andrey Polezhaev   Thermal interaction in two-layered solid
                                  fuel system  . . . . . . . . . . . . . . 1445--1460
      Taisia Miroshnichenko and   
          Vladimir Gubernov and   
              Sergey Minaev and   
               Andrey Polezhaev   Correction to: Thermal interaction in
                                  two-layered solid fuel system  . . . . . 1461--1461

Journal of Mathematical Chemistry
Volume 60, Number 8, September, 2022

              Saurabh Kumar and   
                Vikas Gupta and   
     J. F. Gómez-Aguilar   An efficient operational matrix
                                  technique to solve the fractional order
                                  non-local boundary value problems  . . . 1463--1479
                    Bin Sun and   
             Chia-Liang Lin and   
                    T. E. Simos   A phase-fitting, first and second
                                  derivatives phase-fitting singularly
                                  $P$-stable economical two-step method
                                  for problems in chemistry  . . . . . . . 1480--1504
                     Saloni and   
              Dimple Kumari and   
             Hiteshi Tandon and   
    Mart\'ìn Labarca and   
             Tanmoy Chakraborty   Computation of atomic electronegativity
                                  values using atomic and covalent
                                  potential: a FSGO based study  . . . . . 1505--1520
             Dejan 'Cebi\'c and   
           Nebojsa M. Ralevi\'c   An efficient class of optimal
                                  sixteenth-order root-finding methods and
                                  their basins of attraction . . . . . . . 1521--1541
             Felipe Poulsen and   
            Thorsten Hansen and   
              Matthew G. Reuter   Predicting slow relaxation timescales in
                                  open quantum systems . . . . . . . . . . 1542--1554
José Carlos García-Merino and   
        Carmen Calvo-Jurado and   
Enrique García-Macías   Surrogate modeling of the effective
                                  elastic properties of spherical
                                  particle-reinforced composite materials  1555--1570
   Krishnan Balasubramanian and   
       Ramon Carbó-Dorca   Three conjectures on extended twin
                                  primes and the existence of isoboolean
                                  and singular primes inspired by
                                  relativistic quantum computing . . . . . 1571--1583
                    Pradip Roul   A novel approach for solving nonlinear
                                  singular boundary value problems arising
                                  in various physical models . . . . . . . 1584--1609
                     Genyuan Li   Moment independent uncertainty
                                  importance measure for stochastic
                                  systems based on Gaussian process  . . . 1610--1631
             Chia-Liang Lin and   
                    T. E. Simos   A phase-fitting, first, second and third
                                  derivatives phase-fitting singularly
                                  $P$-stable economical two-step method
                                  for problems in quantum chemistry  . . . 1632--1657
                Ji-Teng Jia and   
                   Jie Wang and   
             Ting-Feng Yuan and   
              Kai-Kai Zhang and   
                 Bao-Ming Zhong   An incomplete block-diagonalization
                                  approach for evaluating the determinants
                                  of bordered k -tridiagonal matrices  . . 1658--1673
                   Jan Turulski   On self-similar chemical structures,
                                  once again . . . . . . . . . . . . . . . 1674--1694

Journal of Mathematical Chemistry
Volume 60, Number 9, October, 2022

                Ji-Teng Jia and   
                   Jie Wang and   
                      Qi He and   
                    Yu-Cong Yan   A division-free algorithm for
                                  numerically evaluating the determinant
                                  of a specific quasi-tridiagonal matrix   1695--1706
         Jean-David Moisset and   
             Laurie Carrier and   
            Paul Andrew Johnson   Pertubative corrections for
                                  Hartree--Fock-like algebraic Bethe
                                  ansatz analogue  . . . . . . . . . . . . 1707--1724
                   Yue Chan and   
                 Ruidi Song and   
                 Rumiao Lin and   
                  Daoju Cai and   
                 Shern-Long Lee   Time-dependent Langevin modeling and
                                  Monte--Carlo simulations of diffusion in
                                  one-dimensional ion channels . . . . . . 1725--1738
                      B. Apagyi   Determination of $ \alpha $--$ \alpha $
                                  interaction from experiment  . . . . . . 1739--1749
           Tomass Andersons and   
             Mathias Sawall and   
                  Klaus Neymeyr   Analytical enclosure of the set of
                                  solutions of the three-species
                                  multivariate curve resolution problem    1750--1780
         Anna Ka\'zmierczak and   
               Aleksandra Orpel   Positive solutions to the nonlinear
                                  reactor model by variational iteration
                                  method . . . . . . . . . . . . . . . . . 1781--1799
Caio César Ferreira Florindo and   
        Christina Papenfuss and   
Adalberto Bono Maurizio Sacchi Bassi   On the description of the microdomains
                                  within carbon fiber precursory mesophase
                                  pitch: a mesoscopic continuum approach   1800--1818
                    Debraj Nath   Study of uncertainty, average energy,
                                  and thermodynamic quantities of the time
                                  dependent quantum system . . . . . . . . 1819--1839
             N. Flores-Gallegos   A possible generalization Shannon's
                                  entropy using $q$-calculus . . . . . . . 1840--1853
          Walter Carballosa and   
               Ana Granados and   
José Antonio Méndez Bermúdez and   
            Domingo Pestana and   
                   Ana Portilla   Computational properties of the
                                  arithmetic--geometric index  . . . . . . 1854--1871
               Satpal Singh and   
                 Devendra Kumar   Spline-based parameter-uniform scheme
                                  for fourth-order singularly perturbed
                                  differential equations . . . . . . . . . 1872--1902

Journal of Mathematical Chemistry
Volume 60, Number 10, November, 2022

               C. J. Bradly and   
                 A. L. Owczarek   Critical scaling of lattice polymers
                                  confined to a box without endpoint
                                  restriction  . . . . . . . . . . . . . . 1903--1920
Homero G. Díaz-Marín and   
Francisco J. López-Hernández and   
                  Osvaldo Osuna   Global dynamics of solutions for enzyme
                                  catalysed models with almost periodic
                                  oscillatory input  . . . . . . . . . . . 1921--1929
         Kaushal R. Purohit and   
     Rajendrasinh H. Parmar and   
                 Ajay Kumar Rai   Solution of the modified Yukawa--Kratzer
                                  potential under influence of the
                                  external fields and its thermodynamic
                                  properties . . . . . . . . . . . . . . . 1930--1982
               Qingfei Song and   
               Xingyu Zhang and   
                 Zekai Miao and   
                Qiuyu Zhang and   
                  Qingyong Meng   Unified Regression Model in Fitting
                                  Potential Energy Surfaces for Quantum
                                  Dynamics . . . . . . . . . . . . . . . . 1983--2012
                 Howon Choi and   
              Hyoungjun Kim and   
                    Sungjong No   Chirality for simple graphs of size up
                                  to 12  . . . . . . . . . . . . . . . . . 2013--2028
              Archna Kumari and   
                  V. K. Kukreja   Shishkin mesh based septic Hermite
                                  interpolation algorithm for
                                  time-dependent singularly perturbed
                                  convection--diffusion models . . . . . . 2029--2053
              Diksha Tiwari and   
              Amit K. Verma and   
                  Carlo Cattani   Wavelet solution of a strongly nonlinear
                                  Lane--Emden equation . . . . . . . . . . 2054--2080
                  Akbar Ali and   
              Boris Furtula and   
      Izudin Red\vzepovi\'c and   
                    Ivan Gutman   Atom-bond sum-connectivity index . . . . 2081--2093
             Chia-Liang Lin and   
                    T. E. Simos   A Phase-Fitting Singularly $P$-Stable
                                  Cost-Effective Two-Step Method for
                                  Solving Chemistry Problems . . . . . . . 2094--2124
           Jacobo Baldonedo and   
José R. Fernández and   
             Abraham Segade and   
   Sof\'ìa Suárez   CMMSE: numerical analysis of a chemical
                                  targeting model  . . . . . . . . . . . . 2125--2138


Journal of Mathematical Chemistry
Volume 61, Number 1, January, 2023

  Francisco M. Fernández   The truncated Coulomb potential
                                  revisited  . . . . . . . . . . . . . . . 1--6
             Sergei Manzhos and   
                   Manabu Ihara   Optimization of hyperparameters of
                                  Gaussian process regression with the
                                  help of a low-order high-dimensional
                                  model representation: application to a
                                  potential energy surface . . . . . . . . 7--20
             Renu Choudhary and   
             Devendra Kumar and   
                   Satpal Singh   Second-order convergent scheme for
                                  time-fractional partial differential
                                  equations with a delay in time . . . . . 21--46
       Abhishek Kumar Singh and   
                     Mani Mehra   Difference methods for stochastic space
                                  fractional diffusion equation driven by
                                  additive space-time white noise via
                                  Wong--Zakai approximation  . . . . . . . 47--74
                Hira Soomro and   
         Nooraini Zainuddin and   
                Hanita Daud and   
              Joshua Sunday and   
          Noraini Jamaludin and   
          Abdullah Abdullah and   
           Apriyanto Mulono and   
             Evizal Abdul Kadir   3-Point block backward differentiation
                                  formula with an off-step point for the
                                  solutions of stiff chemical reaction
                                  problems . . . . . . . . . . . . . . . . 75--97
                 Fiza Zafar and   
             Alicia Cordero and   
                Ifra Ashraf and   
             Juan R. Torregrosa   An optimal eighth order derivative free
                                  multiple root finding numerical method
                                  and applications to chemistry  . . . . . 98--124
                 S. Sáez   On the modified generalized
                                  multidimensional KP equation in plasma
                                  physics and fluid dynamics in $ (3 + 1)
                                  $ dimensions . . . . . . . . . . . . . . 125--143
       Krishnan Balasubramanian   Orthogonal polynomials through complex
                                  matrix graph theory  . . . . . . . . . . 144--165
               Mengxin Chen and   
                      Tian Wang   Qualitative analysis and Hopf
                                  bifurcation of a generalized
                                  Lengyel--Epstein model . . . . . . . . . 166--192
           Gerardo Gonzalez and   
            S. A. Alexander and   
                 R. L. Coldwell   Relativistic decay rates of one-electron
                                  atoms  . . . . . . . . . . . . . . . . . 193--218
             Divya Raghavan and   
 J. F. Gómez-Aguilar and   
                   N. Sukavanam   Analytical approach of Hilfer fractional
                                  order differential equations using
                                  iterative Laplace transform method . . . 219--241
               Rufus Boyack and   
          Asadullah Bhuiyan and   
                   Aneca Su and   
                Frank Marsiglio   The bound-state solutions of the
                                  one-dimensional pseudoharmonic
                                  oscillator . . . . . . . . . . . . . . . 242--276

Journal of Mathematical Chemistry
Volume 61, Number 2, February, 2023

                     Imre Varga   Semiclassical and thermal phase space
                                  entropies measuring complexity . . . . . 277--287
               I. Aldazabal and   
                        I. Nagy   Sudden excitations of harmonic normal
                                  modes  . . . . . . . . . . . . . . . . . 288--295
                 Á. Nagy   Phase-space Rényi entropy, complexity and
                                  thermodynamic picture of density
                                  functional theory  . . . . . . . . . . . 296--304
           Anders Hutcheson and   
        Ida-Marie Hòyvik   Convergence of the electronic density
                                  for a target region in cluster models of
                                  a NH$_3$ molecular crystal . . . . . . . 305--321
           Masato Kobayashi and   
                   Yuta Oba and   
               Tomoko Akama and   
              Tetsuya Taketsugu   Practical electronic ground- and
                                  excited-state calculation method for
                                  lanthanide complexes based on frozen
                                  core potential approximation to $ 4 f $
                                  electrons  . . . . . . . . . . . . . . . 322--334
László Udvardi and   
István László   Topological charges of fullerenes  . . . 335--342
           Stig Rune Jensen and   
             Antoine Durdek and   
      Magnar Bjòrgve and   
                 Peter Wind and   
              Tor Flå and   
                  Luca Frediani   Kinetic energy-free Hartree--Fock
                                  equations: an integral formulation . . . 343--361
Mihály Máté and   
        Klára Petrov and   
      Szilárd Szalay and   
                Örs Legeza   Compressing multireference character of
                                  wave functions via fermionic mode
                                  optimization . . . . . . . . . . . . . . 362--375
         Orsolya Anna Pipek and   
           István Csabai   A revised multi-tissue, multi-platform
                                  epigenetic clock model for methylation
                                  array data . . . . . . . . . . . . . . . 376--388

Journal of Mathematical Chemistry
Volume 61, Number 3, March, 2023

                 Yupeng Qin and   
                  Zhen Wang and   
                         Li Zou   Analytical properties and solutions of a
                                  modified Lindemann mechanism with three
                                  reaction rate constants  . . . . . . . . 389--401
               Alexei M. Frolov   Photodetachment of the outer-most
                                  electron(s) in few-electron atomic
                                  systems. Variational principle for the
                                  cross sections . . . . . . . . . . . . . 402--434
                Debraj Nath and   
       Ramon Carbó-Dorca   Quantum similarity index and Rényi
                                  complexity ratio of Kratzer type
                                  potential and compared with that of
                                  inverse square and Coulomb type
                                  potentials . . . . . . . . . . . . . . . 435--454
                    Bin Sun and   
             Chia-Liang Lin and   
                    T. E. Simos   Solution to quantum chemistry problems
                                  using a phase-fitting, singularly
                                  $P$-stable, cost-effective two-step
                                  approach with disappearing phase-lag
                                  derivatives up to order 5  . . . . . . . 455--489
                Tianhao Gui and   
                   Hongwei Yang   Application of Euler--Newton homotopy
                                  method for azeotrope prediction in
                                  vacuum distillation  . . . . . . . . . . 490--503
            Cameron Beevers and   
           Samantha Francis and   
                 Alberto Roldan   Symmetry analysis of irregular objects   504--519
         Josephin Giacomini and   
           Pierluigi Maponi and   
            Alessia Perticarini   CMMSE: a reduced percolation model for
                                  espresso coffee  . . . . . . . . . . . . 520--538
            Biswajit Pandit and   
        Mukesh Kumar Rawani and   
           Amit Kumar Verma and   
                  Carlo Cattani   Numerical approximation of higher order
                                  singular boundary value problem by using
                                  Haar functions . . . . . . . . . . . . . 539--568
            Dzevad Belki\'c and   
                 Karen Belki\'c   Inverse problem for reconstruction of
                                  components from derivative envelope in
                                  ovarian MRS: Citrate quartet as a cancer
                                  biomarker with considerably decreased
                                  levels in malignant vs benign samples    569--599
        Juan M. Bello-Rivas and   
         Anastasia Georgiou and   
          John Guckenheimer and   
          Ioannis G. Kevrekidis   Staying the course: iteratively locating
                                  equilibria of dynamical systems on
                                  Riemannian manifolds defined by
                                  point-clouds . . . . . . . . . . . . . . 600--629
         Bryan S. Hernandez and   
             Eduardo R. Mendoza   Positive equilibria of power law
                                  kinetics on networks with independent
                                  linkage classes  . . . . . . . . . . . . 630--651
         Kwaku Opoku-Ameyaw and   
                Celia Nunes and   
         Manuel L. Esquivel and   
           João T. Mexia   CMMSE: a nonparametric test for grouping
                                  factor levels: an application to cocoa
                                  breeding experiments in acidic soils . . 652--672

Journal of Mathematical Chemistry
Volume 61, Number 4, April, 2023

              Higinio Ramos and   
            Mufutau Ajani Rufai   A new one-step method with three
                                  intermediate points in a variable
                                  step-size mode for stiff differential
                                  systems  . . . . . . . . . . . . . . . . 673--688
           Hirokazu Komatsu and   
                 Hiroshi Yokota   Stability analysis for Butlerov chemical
                                  reaction in batch reactor  . . . . . . . 689--711
             N. Flores-Gallegos   An approach to local electron energy in
                                  atoms through Rényi's entropy . . . . . . 712--722
             N. Flores-Gallegos   A close-up to the bond-breaking and
                                  bond-forming using information theory    723--735
     Francisco I. Chicharro and   
               Neus Garrido and   
        Julissa H. Jerezano and   
      Daniel Pérez-Palau   Family of fourth-order optimal classes
                                  for solving multiple-root nonlinear
                                  equations  . . . . . . . . . . . . . . . 736--760
                Anurag Kaur and   
                  V. Kanwar and   
                  Higinio Ramos   An efficient algorithm combining an
                                  optimized hybrid block method and the
                                  differential quadrature method for
                                  solving Hunter--Saxton equation  . . . . 761--776
                Dzevad Belki\'c   High-energy two-electron transfer in
                                  ion-atom collisions  . . . . . . . . . . 777--804
                Dzevad Belki\'c   Correction to: High-energy two-electron
                                  transfer in ion-atom collisions  . . . . 805--805
                 Diego Frezzato   Intrinsic timing in classical master
                                  equation dynamics from an extended
                                  quadratic format of the evolution law    806--834
                Debraj Nath and   
                   Amlan K. Roy   Energy and information-entropic measures
                                  of Hulthén potential in $D$ dimension by
                                  a new approximation to centrifugal term  835--858
      Sambanthan Gurunathan and   
      Thangaraj Yogalakshmi and   
       Krishnan Balasubramanian   Topological characterization of
                                  statistically clustered networks for
                                  molecular similarity analysis  . . . . . 859--876
                  Xin Huang and   
                         Li Xia   A novel wavelength interval selection
                                  based on split regularized regression
                                  for spectroscopic data . . . . . . . . . 877--892

Journal of Mathematical Chemistry
Volume 61, Number 5, May, 2023

  Francisco M. Fernández   Comment on ``Semi-exact solutions of
                                  sextic potential plus a centrifugal
                                  term'' . . . . . . . . . . . . . . . . . 893--895
             Noel T. Fortun and   
             Eduardo R. Mendoza   Comparative analysis of carbon cycle
                                  models via kinetic representations . . . 896--932
          Walter Carballosa and   
           Yamilet Quintana and   
José M. Rodr\'ìguez and   
       José M. Sigarreta   Exponential topological indices: optimal
                                  inequalities and applications  . . . . . 933--949
           Geetan Manchanda and   
             Gunjan Khurana and   
                  R. K. Mohanty   Super-stable spline-in-tension numerical
                                  method of order three(four) for the
                                  second order nonlinear IVPs  . . . . . . 950--974
          Alexander B. Doktorov   Diffusion-influenced reactions in the
                                  presence of reactivity anisotropy as
                                  spots at the poles of a rigid sphere . . 975--1003
                  Takuya Yamano   Inequality-induced similarity measures
                                  for radial electronic probability
                                  densities in hydrogenic atoms  . . . . . 1004--1015
       Ramon Carbó-Dorca   Quantum similarity and QSPR in
                                  Euclidean-, and Minkowskian--Banach
                                  spaces . . . . . . . . . . . . . . . . . 1016--1035
                  Yong Wang and   
                    Xu Zhou and   
               Weihua Jiang and   
                   Liangping Qi   Turing instability and pattern formation
                                  in a diffusive Sel'kov--Schnakenberg
                                  system . . . . . . . . . . . . . . . . . 1036--1062
           Zohreh Eskandari and   
      R. Khoshsiar Ghaziani and   
           Zakieh Avazzadeh and   
                          Bo Li   Codimension-2 bifurcations on the curve
                                  of the Neimark--Sacker bifurcation for a
                                  discrete-time chemical model . . . . . . 1063--1076
                Shinsaku Fujita   Stereoisograms for three-membered
                                  heterocycles: IV. Half-size-subgroup
                                  method for type-itemized enumeration of
                                  oxiranes under an \em RS-stereoisomeric
                                  group  . . . . . . . . . . . . . . . . . 1077--1111
                Shinsaku Fujita   Stereoisograms for three-membered
                                  heterocycles: V. Factor-group method for
                                  type-itemized enumeration of oxiranes
                                  under an \em RS-stereoisomeric group . . 1112--1142
              Arpita Poddar and   
                 Ranita Pal and   
              Chunying Rong and   
         Pratim Kumar Chattaraj   A conceptual DFT and
                                  information-theoretic approach towards
                                  QSPR modeling in polychlorobiphenyls . . 1143--1164
              R. K. Mohanty and   
                   Divya Sharma   A new 2-level compact off-step implicit
                                  method in exponential form for the
                                  solution of fourth order nonlinear
                                  parabolic equations  . . . . . . . . . . 1165--1204
                 Yunmei Liu and   
                 Zejie Tian and   
                     Hui Li and   
                Zhenhua Liu and   
                    Lei Shi and   
                   Lingyan Yang   3D quantitative structure-activity
                                  relationships study on anti-gastric
                                  cancer of chrysin derivatives  . . . . . 1205--1216
             Edil D. Molina and   
José M. Rodr\'ìguez and   
José L. Sánchez and   
       José M. Sigarreta   Inverse degree index: exponential
                                  extension and applications . . . . . . . 1217--1237

Journal of Mathematical Chemistry
Volume 61, Number 6, July, 2023

                  Ching-Wan Lam   Enumeration of constitutional isomers of
                                  methyl alkanes by means of alkyl
                                  biradicals: equivalence of odd and even
                                  isomer series of symmetrical methyl
                                  alkanes  . . . . . . . . . . . . . . . . 1239--1247
            Steffen Arnrich and   
                    Grit Kalies   A natural regularization of the
                                  adsorption integral equation with
                                  Langmuir-kernel  . . . . . . . . . . . . 1248--1274
                Ji-Teng Jia and   
                   Fu-Rong Wang   A cost-efficient numerical algorithm for
                                  the determinants of heptadiagonal
                                  matrices with Toeplitz structure . . . . 1275--1291
                   Paul Bracken   A mathematical investigation of
                                  Landauer's principle . . . . . . . . . . 1292--1300
                 S. B. Doma and   
                A. A. Gohar and   
                   M. S. Younes   Analytical Solutions of the Molecular
                                  Kratzer--Feus potential by means of the
                                  Nikiforov--Uvarov Method . . . . . . . . 1301--1312
               Satpal Singh and   
             Devendra Kumar and   
                 J. Vigo-Aguiar   A robust numerical technique for weakly
                                  coupled system of parabolic singularly
                                  perturbed reaction-diffusion equations   1313--1350
                Shinsaku Fujita   Stereoisograms for three-membered
                                  heterocycles: V. Factor-group method for
                                  type-itemized enumeration of oxiranes
                                  under an \em RS-stereoisomeric group . . 1351--1382
                Debraj Nath and   
       Ramon Carbó-Dorca   Information-theoretic spreading measures
                                  of a particle confined in a 3D infinite
                                  spherical well . . . . . . . . . . . . . 1383--1402
              Burhan Yildiz and   
               Cem Kaanoglu and   
                   Vali Bashiry   Shape analysis of an axisymmetric
                                  pendant drop using minimization of free
                                  energy . . . . . . . . . . . . . . . . . 1403--1413
             Chia-Liang Lin and   
                    T. E. Simos   Phase-fitting, singularly $P$-stable,
                                  cost-effective two-step approach to
                                  solving problems in quantum chemistry
                                  with vanishing phase-lag derivatives up
                                  to order 6 . . . . . . . . . . . . . . . 1414--1452
             N. Flores-Gallegos   Fermi--Dirac entropy as a measure of
                                  electron interactions  . . . . . . . . . 1453--1461
           Kalpesh M. Popat and   
              Kunal R. Shingala   Some new results on energy of graphs
                                  with self loops  . . . . . . . . . . . . 1462--1469

Journal of Mathematical Chemistry
Volume 61, Number 7, August, 2023

   Krishnan Balasubramanian and   
             Ernest R. Davidson   Rational approximations to pie:
                                  transcendental $ \pi $ and Euler's
                                  Constant $e$ . . . . . . . . . . . . . . 1471--1476
               S. Govardhan and   
                     S. Roy and   
   Krishnan Balasubramanian and   
                      S. Prabhu   Topological indices and entropies of
                                  triangular and rhomboidal tessellations
                                  of kekulenes with applications to NMR
                                  and ESR spectroscopies . . . . . . . . . 1477--1490
                Debraj Nath and   
                   Amlan K. Roy   Average energy and Shannon entropy of a
                                  confined harmonic oscillator in a
                                  time-dependent moving boundary . . . . . 1491--1503
                Ji-Teng Jia and   
                   Fu-Rong Wang   On the efficient and accurate
                                  determinant evaluation of periodic
                                  tridiagonal Toeplitz matrices  . . . . . 1504--1521
                Guoyong Mao and   
                Runzhan Liu and   
                     Ning Zhang   Similarity analysis of chemical elements
                                  based on compounds network . . . . . . . 1522--1531
             N. Flores-Gallegos   On the information obtained using
                                  Shannon's entropy through spin density   1532--1544
             Chia-Liang Lin and   
                    T. E. Simos   Highly efficient, singularly P-stable,
                                  and low-cost phase-fitting two-step
                                  method of 14th order for problems in
                                  chemistry  . . . . . . . . . . . . . . . 1545--1569
       Krishnan Balasubramanian   Characteristic polynomials,
                                  spectral-based Riemann-Zeta functions
                                  and entropy indices of $n$-dimensional
                                  hypercubes . . . . . . . . . . . . . . . 1570--1591
              Sandi Klavzar and   
             Gasper Domen Romih   The cut method on hypergraphs for the
                                  Wiener index . . . . . . . . . . . . . . 1592--1603
           Phumlani Dlamini and   
               James Malele and   
              Simphiwe Simelane   Solving singular boundary value problems
                                  using higher-order compact finite
                                  difference schemes with a novel
                                  higher-order implementation of Robin
                                  boundary conditions  . . . . . . . . . . 1604--1632

Journal of Mathematical Chemistry
Volume 61, Number 8, September, 2023

         Micheal Arockiaraj and   
               Joseph Jency and   
            Shagufa Mushtaq and   
          Arul Jeya Shalini and   
       Krishnan Balasubramanian   Covalent organic frameworks: topological
                                  characterizations, spectral patterns and
                                  graph entropies  . . . . . . . . . . . . 1633--1664
      Alejandro Morales-Bayuelo   A possible way to quantify the philicity
                                  using molecular quantum similarity and
                                  chemical reactivity indices  . . . . . . 1665--1671
                  M. Coskun and   
                 M. Ertürk   Applicability of noninteger Bessel type
                                  orbital basis sets: numerical and
                                  analytical approaches  . . . . . . . . . 1672--1683
               Shi-Hai Dong and   
                    Guo-Hua Sun   Exact solutions of the Schrödinger
                                  equation with a complex periodic
                                  potential  . . . . . . . . . . . . . . . 1684--1695
               Jayanta Paul and   
             Debdulal Ghosh and   
                 Jitendra Kumar   Accurate and efficient flux-corrected
                                  finite volume approximation for the
                                  fragmentation problem  . . . . . . . . . 1696--1716
     Pratim Kumar Chattaraj and   
                     Ranita Pal   A modified cusp condition for the single
                                  density equations of DFT and
                                  orbital-free DFT for atoms . . . . . . . 1717--1725
         N. Flores-Gallegos and   
         L. Flores-Gómez   An approach to chemical hardness through
                                  Shannon's entropy  . . . . . . . . . . . 1726--1738
        Ricardo Vivas-Reyes and   
Oscar Martínez-Santiago and   
           Yovani Marrero-Ponce   Graph derivative indices interpretation
                                  from the quantum mechanics perspective   1739--1757
                 P. F. Zhuk and   
                 S. O. Karakhim   Two different types of kinetics, where
                                  the initial rate increases faster or
                                  slower than the reactant concentration,
                                  can coexist on bell-shaped kinetic
                                  dependencies . . . . . . . . . . . . . . 1758--1796
                    Wei Bao and   
             Chia-Liang Lin and   
                    Bin Sun and   
                    T. E. Simos   Two-step, fourteenth-order,
                                  phase-fitting procedure with high
                                  efficiency and minimal cost for chemical
                                  problems . . . . . . . . . . . . . . . . 1797--1823

Journal of Mathematical Chemistry
Volume 61, Number 9, October, 2023

                  Ruchi Jha and   
         Shanti Gopal Patra and   
           Himangshu Mondal and   
         Pratim Kumar Chattaraj   Theoretical understanding of
                                  mechanochemical (ball-milling) synthesis
                                  of thioethers: a CDFT approach . . . . . 1825--1841
                Pradip Roul and   
      V. M. K. Prasad Goura and   
                   Ravi Agarwal   An optimal computational method for a
                                  general class of nonlinear boundary
                                  value problems . . . . . . . . . . . . . 1842--1878
  Francisco M. Fernández   Extremely broken generalized $ \mathcal
                                  {PT} $ symmetry  . . . . . . . . . . . . 1879--1887
        Marina A. Medvedeva and   
                    T. E. Simos   Solution of quantum chemical problems by
                                  a very effective and relatively
                                  inexpensive two-step, fourteenth-order,
                                  phase-fitting procedure  . . . . . . . . 1888--1915
   Ramon Carbó-Dorca and   
                    Debraj Nath   A study of Fermionic Cooper pairs  . . . 1916--1923
              Dimple Kumari and   
              Saloni Saloni and   
    Mart\'ìn Labarca and   
             Tanmoy Chakraborty   Application of Floating Spherical
                                  Gaussian Orbital approach in redefining
                                  the atomic periodic descriptor . . . . . 1924--1935
            Dzevad Belki\'c and   
                 Karen Belki\'c   Derivative shape estimations with
                                  resolved overlapped peaks and reduced
                                  noise for time signals encoded by NMR
                                  spectroscopy with and without water
                                  suppression  . . . . . . . . . . . . . . 1936--1966
              Gustavo A. Arteca   Interpretation of covolume in an
                                  extension of the Redlich--Kwong equation
                                  of state for real gases  . . . . . . . . 1967--1979
             Tomislav Plesa and   
             Alexander Dack and   
            Thomas E. Ouldridge   Integral feedback in synthetic biology:
                                  negative-equilibrium catastrophe . . . . 1980--2018
                Dzevad Belki\'c   Various mechanisms for double capture
                                  from helium targets by alpha particles   2019--2044

Journal of Mathematical Chemistry
Volume 61, Number 10, November, 2023

                      Yu Du and   
             Chia-Liang Lin and   
                    Bin Sun and   
                    T. E. Simos   Solution of quantum chemical problems
                                  using an extremely successful and
                                  reasonably cost two-step,
                                  fourteenth-order phase-fitting approach  2045--2078
              Malkesh Singh and   
         Sunny Kumar Sharma and   
               Vijay Kumar Bhat   On mixed metric dimension of crystal
                                  cubic carbon structure . . . . . . . . . 2079--2097
          Shivam Srivastava and   
           Anjani K. Pandey and   
               Chandra K. Dixit   Theoretical prediction for thermoelastic
                                  properties of carbon nanotubes (CNTs) at
                                  different pressure or compression using
                                  equation of states . . . . . . . . . . . 2098--2104
         Bryan S. Hernandez and   
      Kaitlyn Deen E. Buendicho   A network-based parametrization of
                                  positive steady states of power-law
                                  kinetic systems  . . . . . . . . . . . . 2105--2122
                  R. K. Mohanty   Third (fourth) order accurate two-step
                                  super-stable cubic spline polynomial
                                  approximation for the second order
                                  non-linear initial-value problems  . . . 2123--2145
                Pradip Roul and   
      V. M. K. Prasad Goura and   
                   Ravi Agarwal   A high-order compact finite difference
                                  scheme and its analysis for the
                                  time-fractional diffusion equation . . . 2146--2175
                Sonia Yadav and   
                  Sukhjit Singh   Global convergence domains for an
                                  efficient fifth order iterative scheme   2176--2191


Journal of Mathematical Chemistry
Volume 62, Number 1, January, 2024

 Péter Surján and   
          Ágnes Szabados   Editorial to the special issue of the
                                  \booktitleJournal of Mathematical
                                  Chemistry ``In Memoriam János Pipek'' . . 1--2
                  Marcin Molski   Improved energy formula for highly
                                  excited vibrational states of
                                  Kratzer--Fues oscillator . . . . . . . . 3--23
                G. Manohara and   
              S. Kumbinarasaiah   Numerical solution of some stiff systems
                                  arising in chemistry via Taylor wavelet
                                  collocation method . . . . . . . . . . . 24--61
         N. Flores-Gallegos and   
      Alejandro Morales-Bayuelo   An analysis of the torquoselectivity
                                  effect in a ring-opening reaction
                                  through Fermi--Dirac's entropy:
                                  revealing the origin of the
                                  stereoselectivity. . . . . . . . . . . . 62--72
                  Sohan Lal and   
           Vijay Kumar Bhat and   
                   Sahil Sharma   Topological indices and graph entropies
                                  for carbon nanotube Y-junctions  . . . . 73--108
              Munish Kansal and   
                    Litika Rani   An adaptive Steffensen-like families for
                                  solving nonlinear systems using frozen
                                  divided differences  . . . . . . . . . . 109--144
             Renu Choudhary and   
                 Devendra Kumar   Collocation-based numerical simulation
                                  of fractional order Allen--Cahn equation 145--168
                 Yihuan Sun and   
                  Shanshan Chen   Hopf bifurcation and periodic solutions
                                  in a coupled Brusselator model of
                                  chemical reactions . . . . . . . . . . . 169--197
              Munish Kansal and   
                  Himani Sharma   Analysis of optimal iterative methods
                                  from a dynamical point of view by
                                  studying their stability properties  . . 198--221
       Patrick Cassam-Chena\"\i   A conjecture on antisymmetrized geminal
                                  power wavefunctions  . . . . . . . . . . 222--227
             Edil D. Molina and   
José M. Rodríguez and   
José L. Sánchez and   
       José M. Sigarreta   Applications of the inverse degree index
                                  to molecular structures  . . . . . . . . 228--249
J. A. Méndez-Bermúdez and   
              Rosalio Reyes and   
   José M. Sigarreta and   
           María Villeta   On the variable inverse sum deg index:
                                  theory and applications  . . . . . . . . 250--268
           Anjani K. Pandey and   
           Chandra K. Dixit and   
              Shivam Srivastava   Theoretical model for the prediction of
                                  lattice energy of diatomic metal halides 269--274
            Juan C. Morales and   
               Carlos A. Arango   Geometric-algebraic approach to aqueous
                                  solutions of diprotic acids and its
                                  buffer mixtures  . . . . . . . . . . . . 275--299
         N. Flores-Gallegos and   
             O. G-Damián   An approach to Hammond's principle
                                  through Kullback--Leibler's entropy  . . 300--311

Journal of Mathematical Chemistry
Volume 62, Number 2, February, 2024

  Francisco M. Fernández   On the pseudoharmonic oscillator as a
                                  model for the electronic
                                  potential-energy function of a diatomic
                                  molecule . . . . . . . . . . . . . . . . 313--316
       Chandan Raychaudhury and   
         Shreyaa Srinivasan and   
                    Debnath Pal   Identification of potential oral cancer
                                  drugs as Bcl-2 inhibitors from known
                                  anti-neoplastic agents through docking
                                  studies  . . . . . . . . . . . . . . . . 317--329
              Changying Liu and   
                Yumeng Tang and   
                Jiashang Yu and   
                   Yonglei Fang   High-order symmetric and
                                  energy-preserving collocation
                                  integrators for the second-order
                                  Hamiltonian system . . . . . . . . . . . 330--355
                  Ziyao Gao and   
                Jianfeng He and   
                    Jing Li and   
                 Kingsley Leung   Unraveling the complexity of Exendin-4
                                  folding through two distinct pathways    356--366
                Luca Donati and   
       Konstantin Fackeldey and   
                   Marcus Weber   Augmented ant colony algorithm for
                                  virtual drug discovery . . . . . . . . . 367--385
           Gheorghe Craciun and   
         Abhishek Deshpande and   
                     Jiaxin Jin   On the connectivity of the disguised
                                  toric locus of a reaction network  . . . 386--405
                Giorgio Celebre   Might molecular symmetry operations
                                  exist ``partially''? . . . . . . . . . . 406--424
                   R. Rajaraman   Wavelet-based mathematical analysis of
                                  immobilized enzymes in porous catalysts
                                  under nonlinear Michaelis--Menten
                                  kinetics . . . . . . . . . . . . . . . . 425--460
 Jorge I. Martínez-Araya   Why are the local hyper-softness and the
                                  local softness more appropriate local
                                  reactivity descriptors than the dual
                                  descriptor and the Fukui function,
                                  respectively?  . . . . . . . . . . . . . 461--475
           Gheorghe Craciun and   
         Abhishek Deshpande and   
                     Jiaxin Jin   Weakly reversible single linkage class
                                  realizations of polynomial dynamical
                                  systems: an algorithmic perspective  . . 476--501
      Alexander B. Doktorov and   
               Nikita N. Lukzen   General relationships between the
                                  kinetic characteristics of bulk and
                                  geminate recombination of radicals in
                                  solutions  . . . . . . . . . . . . . . . 502--521
          Shivam Srivastava and   
           Anjani K. Pandey and   
               Chandra K. Dixit   Comparative study of elastic properties
                                  of some inorganic and organic molecular
                                  crystals from EOS  . . . . . . . . . . . 522--533

Journal of Mathematical Chemistry
Volume 62, Number 3, March, 2024

            Dzevad Belki\'c and   
                 Karen Belki\'c   Optimized derivative fast Fourier
                                  transform with high resolution and low
                                  noise from encoded time signals: Ovarian
                                  NMR spectroscopy . . . . . . . . . . . . 535--554
                    Hao Lin and   
                  Yiwei Shi and   
                    Shuyang Dai   Hybrid random batch idea and nonlinear
                                  conjugate gradient method for
                                  accelerating charged polymer dynamics
                                  simulation . . . . . . . . . . . . . . . 555--578
             Nawa A. Alshammari   Two energies for conjoining boron
                                  nitride nanotorus and nanotube . . . . . 579--590
      Alejandro Morales-Bayuelo   Quantifying the distortion by spin-orbit
                                  and spin-spin coupling in molecular
                                  clusters using Molecular Quantum
                                  Similarity . . . . . . . . . . . . . . . 591--605
                Dzevad Belki\'c   Quantum-mechanical four-body versus
                                  semi-classical three-body theories for
                                  double charge exchange in collisions of
                                  fast alpha particles with helium targets 606--633
                 Esra Celik and   
               Huseyin Tunc and   
                     Murat Sari   An efficient multi-derivative numerical
                                  method for chemical boundary value
                                  problems . . . . . . . . . . . . . . . . 634--653
    Cosar Gözükirmizi   Pure quadratization and solution of
                                  ordinary differential equations by
                                  probabilistic evolution theory with
                                  concurrent computation of coefficients
                                  using exact arithmetic . . . . . . . . . 654--680
            B. Cameron Reed and   
               Gregory L. Bason   An alternative approach to normalizing
                                  the Coulomb $ R_{n \ell }(r) $ radial
                                  solutions  . . . . . . . . . . . . . . . 681--688
             J. Vigo-Aguiar and   
             Reetika Chawla and   
             Devendra Kumar and   
                 Tapas Mazumdar   An implicit scheme for time-fractional
                                  coupled generalized Burgers' equation    689--710
                M. Melgaard and   
              V. J. J. Syrjanen   Spectral approximation scheme for a
                                  hybrid, spin-density Kohn--Sham
                                  density-functional theory in an external
                                  (nonuniform) magnetic field and a
                                  collinear exchange-correlation energy    711--760
        Marina A. Medvedeva and   
                    T. E. Simos   An exceedingly effective and inexpensive
                                  two-step, fourteenth-order phase-fitting
                                  method for solving quantum chemical
                                  issues . . . . . . . . . . . . . . . . . 761--801
             Andy A. Chavez and   
               Alec P. Adam and   
              Paul W. Ayers and   
Ramón Alain Miranda-Quintana   Inductive proof of Borchardt's theorem   802--808