A Complete Bibliography of Publications in The International Journal of Quantum Chemistry: 1990–1999

Nelson H. F. Beebe University of Utah Department of Mathematics, 110 LCB 155 S 1400 E RM 233 Salt Lake City, UT 84112-0090 USA

Tel: +1 801 581 5254 FAX: +1 801 581 4148

 E-mail: beebe@math.utah.edu, beebe@acm.org, beebe@computer.org (Internet)
            WWW URL: https://www.math.utah.edu/~beebe/

29 August 2024 Version 2.21

Title word cross-reference

(0.0 ≤ x ≤ 0.3) [?]. (110) [?]. (4s) [?]. (5s) [?]. (C_{2v}) [?]. (d + s)^{3} [?]. (Γ) [?]. (J = 0) [?, ?]. (n = 0, 1, 2) [?]. (n = 1, 2, , 6) [?]. (n = 1, 2, 4) [?]. (n = 1−−3) [?]. (n = 1−−4) [?, ?]. (n = 1−−6) [?]. (n = 2−−12) [?]. (n = 2− − 14) [?]. (n = 2−−4) [?, ?]. (n = 4, 5, 6) [?]. (x = 2−−16) [?]. + [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. 0s [?]. 1, 4 [?]. 1^{1} [?]. 1^{1}B_{u}^{+} [?]. 1^{2} [?]. 1 − x [?]. 1/2 [?]. 1/r_{ij} [?]. 1/Z [?]. 10D_{q} [?]. $187.00 [?]. 1s [?]. 2 [?, ?, ?, ?, ?]. 2^{1}A_{g}^{−} [?]. 2^{3} [?]. 20 [?]. $208 [?]. 3 [?, ?, ?, ?]. 3n [?, ?]. 4 [?, ?]. 4n + 2 [?]. 5 [?]. 540 [?]. 6 [?]. $60.00 [?]. 7 [?]. $79.00 [?]. = [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. [2 + 2] [?]. ^{∗} [?, ?, ?]. ^{+} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ^{+(−)} [?]. _{2}^{+} [?, ?, ?, ?]. ^{−} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{2}^{−} [?]. _{2g}^{−} [?]. _{3}^{−} [?]. _{I}^{−} [?]. _{II}^{−} [?]. _{II}^{−} → [?]. ^{0} [?]. ^{1} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ^{119} [?]. ^{13} [?, ?, ?, ?, ?]. ^{131} [?]. ^{17} [?]. ^{19} [?]. ^{1}A_{1} [?]. ^{1}A′ [?]. ^{1}Δ_{g} [?, ?]. ^{1}Φ_{g} [?]. ^{1}Π_{u} [?]. ^{1}Σ [?, ?, ?]. ^{1}Σ^{+} [?, ?, ?]. ^{1}Σ_{g}^{+} [?]. ^{1}Σ_{g}^{+} [?, ?]. ^{2} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ^{2+} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ^{2+/3+} [?]. ^{2,6} [?]. ^{2−} [?]. _{4}^{2−} [?]. _{II}^{2−} [?]. ^{207} [?]. ^{29} [?]. ^{2}Λ [?]. ^{2n−} [?]. ^{2}Π_{g} [?]. ^{2}Σ^{+} [?, ?, ?, ?]. ^{3} [?, ?, ?, ?, ?, ?]. 3+ [?, ?, ?, ?]. ^{3−} [?, ?]. ^{35} [?]. ^{377} [?]. ^{3}Π_{g} [?]. ^{3}Σ^{−} [?]. ^{4} [?, ?, ?]. ^{4+} [?, ?]. 4− [?]. ^{5} [?]. ^{5+} [?, ?, ?]. ^{6} [?, ?]. ^{6+} [?, ?]. ^{6−} [?, ?]. ^{7+} [?]. ^{9} [?]. ^{e} [?]. ^{∞} [?]. M [?]. ^{N} [?]. ^{n+} [?]. ^{o} [?]. ′ [?, ?, ?, ?, ?]. _{0} [?]. _{0.4} [?]. _{0.6} [?]. _{0.8} [?]. _{1} [?, ?, ?, ?, ?, ?, ?, ?]. _{1−x} [?, ?]. _{1.2} [?]. _{10} [?, ?, ?]. _{105} [?]. _{111} [?]. _{12} [?, ?, ?, ?]. _{123} [?]. _{13} [?]. _{14} [?]. _{1}^{2} [?]. _{1A} [?]. _{2} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. 2 [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{20} [?]. _{24} [?]. _{240} [?]. _{26} [?]. _{28} [?, ?]. _{2}^{+} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{2}^{−} [?, ?, ?]. 2h [?]. _{2n} [?]. _{2} → [?]. _{3} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. 3−δ [?]. _{3−x} [?, ?]. _{3−y} [?]. _{32} [?]. _{3}^{+} [?, ?, ?, ?]. _{3}^{−} [?]. _{3}^{2} [?]. _{3} → [?]. _{4} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{40} [?, ?]. _{4}^{+1} [?]. _{4}^{2−} [?]. _{4} → [?]. _{5} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{5+δ} [?]. _{5}^{2+} [?]. _{6} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{60} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{60}^{2−} [?]. _{60}^{3−} [?]. _{7} [?, ?, ?, ?, ?, ?]. _{7+δ} [?]. _{70} [?, ?, ?]. _{78} [?, ?]. _{8} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. 80 [?, ?]. _{81} [?]. _{86} [?]. _{87} [?]. _{88} [?]. _{9} [?, ?, ?]. _{93} [?]. _{a} [?]. _{B} [?]. _{C} [?, ?, ?, ?, ?, ?, ?, ?, ?]. _{cam} [?]. _{g} [?, ?, ?]. _{I} [?]. _{II} → [?]. _{∞} [?]. _{J} [?]. _{k} [?]. m [?]. _{n} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{s}[ρ] [?]. _{u} [?]. _{x} [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. _{x}[ρ] [?]. _{y} [?, ?, ?]. _{z} [?]. A [?]. A_{2}B_{2} ← X^{2}A_{1} [?]. α [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. α2 [?]. α^{2} [?]. α_{N} [?, ?]. as [?]. B [?, ?, ?, ?]. β [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. β_{1} [?, ?, ?]. β_{2} [?]. L_{N} [?]. S_{N} [?]. · [?, ?, ?, ?, ?]. · · · [?]. χ^{(2)} [?]. D [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. D_{2h} [?]. δ [?, ?, ?, ?, ?, ?]. Δ^{−1/2} [?]. δE/δρ [?]. e [?, ?, ?]. ϵ [?]. η [?]. η^{5} [?, ?]. f [?]. f(r) [?, ?]. f^{6} [?]. G [?, ?, ?]. γ [?, ?, ?, ?]. h − b − 1 [?, ?]. I [?]. I_{h} [?]. j [?, ?]. J = 0 [?]. K_{a} [?]. κ − π [?]. L^{2} [?, ?]. λ [?]. λ, μ, ν ≥ −2 [?]. ⟨1/r⟩ [?, ?]. ⟨r^{n}⟩ [?]. ← [?]. ↔ [?, ?]. ⟷ [?]. m [?]. m = 0, 1 [?]. μ [?, ?, ?]. μ_{3} [?]. N [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. n = 1, 2 [?]. n = 1, 5 [?]. n = 1, 7 [?]. n = 45 [?]. N^{6} [?]. ∇^{2}n/n [?]. ∇n/n [?]. nl^{N} [?]. n ≤ 7 [?]. NO_{2} [?]. N′ [?]. ν [?]. ν_{17} [?]. O [?]. O_{4} [?]. O_{h} [?]. O ⊃ C_{4} [?]. p [?, ?, ?]. P^{o} [?]. π [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. π∗ ← n [?]. π^{∗} [?]. π^{2} [?]. π^{2} + π^{2} [?]. π^{4} [?]. π → π [?]. π → π∗ [?]. ′ [?, ?, ?, ?, ?]. R [?]. r_{12}^{−2} [?]. r_{12}^{−1} [?]. r_{23}^{λ}r_{13}^{μ}r_{12}^{ν} [?]. r_{ij} [?]. ρ(r) [?, ?]. → [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ⇀ ↽ [?]. S [?, ?, ?, ?, ?, ?, ?]. S = 0, 1/2 [?]. S_{1} [?]. Σ [?, ?, ?, ?, ?, ?]. Σ^{+} ⟷ Σ̸^{−} [?]. sp [?]. t [?]. T_{1} [?]. T_{c} [?]. T_{c}[ρ] [?]. U(2n) [?, ?, ?]. v [?, ?]. v′ [?]. Y′′ = F (X, Y) [?]. Z [?, ?]. Z = 1−−24 [?].

* [?, ?].

-2 [?]. -acetylpropanamide [?]. -adrenergic [?]. -adrenoceptor [?, ?, ?]. -Al [?]. -alanine [?]. -Alkane [?]. -Alkanes [?]. -allyl [?]. -aminobutyric [?]. -aminohexanoic [?]. -aminoimidazole [?]. -aminopentane [?]. -aminophenyl [?]. -androstane [?]. -Argon [?, ?]. -Atom [?]. -Atomic [?]. -Azido-3prime-deoxythymidine [?]. -bend [?]. -Benzohydroquinone [?]. -Bi [?]. -bipyridyl-3 [?]. -bis [?]. -bithiophene [?]. -Butane [?]. -Butyl [?]. -Butylbenzene [?]. -butyrolactone [?]. -C [?, ?]. -Chemisorbed [?]. -conjugated [?, ?]. -Conjugation [?, ?]. -cristobalite [?]. -cyclodextrin [?, ?]. -cyclopropan [?]. -D [?, ?, ?]. -DCNQI [?]. -deoxyadenosine-5 [?]. -dianthryl [?]. -difluorobenzene [?]. -DIIS [?]. -Dimensional [?, ?, ?, ?, ?]. -diol [?]. -doped [?, ?, ?]. -Electron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. -electronic [?]. -Electrons [?, ?]. -elements [?]. -Ethyl-Indole-3-Acetic [?]. -fluoropropane [?]. -fluorotoluene [?]. -Fold [?, ?, ?, ?]. -Framework [?]. -function [?]. -glycylcarbonyl [?, ?]. -Halogenobenzoic [?]. -HD [?]. -helical [?]. -helices [?, ?]. -heptane-HZSM- [?]. -His [?]. -hydrido-bridged [?]. -hydroxyketones [?]. -hydroxypentanoic [?]. -Hydroxypropionic [?]. -Hydroxytetronic [?]. -Hydroxyurea [?]. -Indacene [?]. -indole [?]. -ionone [?]. -K [?]. -ketoenolyl [?]. -Ketoesters [?]. -krypton [?]. -layer [?]. -manifold [?]. -Membered [?]. -Methyl [?]. -methyl- [?]. -methyl-derivatives [?]. -Methylacetamide [?]. -Methylformamide [?]. -Methylpyridones [?]. -methylthio- [?]. -MSH [?]. [?]NaSaha:1999:LES. -Neon [?]. -Ni [?]. -one [?]. -opioid [?]. -Pairing [?]. -phosphate [?]. -pleated [?]. -poly [?]. -polyazamacrocyclic [?]. -propiolactone [?]. -protonation [?]. -Pyridylacetic [?]. -quinonenediimine [?]. -reduced [?]. -related [?]. -Representability [?, ?, ?]. -representable [?, ?, ?]. -residue [?]. -S [?]. -separation [?]. -Sextet [?]. -SiO [?]. -Spiral [?, ?]. -state [?]. -subunit [?]. -tensor [?]. -Tensors [?]. -Tetrasilane [?]. -tetrazine [?]. -Type [?, ?, ?, ?, ?]. -wave [?].

/1 [?]. /6 [?, ?]. /6-31 [?, ?]. /blood [?]. [?]CSaha:1999:LES. /Cu [?]. /INDO [?]. /M [?]. /MC [?]. /MCLR [?]. /Molecular [?]. [?]NSaha:1999:LES. /Q [?].

0 [?, ?, ?, ?, ?, ?, ?, ?]. 0-19-506643-X [?]. 0-19-508091-2 [?]. 0-19-508523-X [?]. 0-19-509775-0 [?]. 0-19-855573-3 [?]. 0-387-57874-9 [?]. 0-387-94376-5 [?]. 0-387-94380-3 [?]. 0-444-82171-6 [?]. 0-7923-3264-4 [?]. 0-7923-3664-X [?].

1 [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. 1-Bisnitroxyphenylethylene [?]. 1-D [?, ?]. 1-dimethyl [?]. 1000-Tesla [?]. 11-14 [?]. 11-diene [?]. 13-atom [?]. 13-Molecule [?]. 13C [?, ?]. 155.00 [?]. 158 [?]. 18-crown-6 [?]. 1980 [?]. 1984 [?]. 1986 [?]. 1987 [?, ?, ?, ?]. 1988 [?, ?, ?]. 1989 [?, ?, ?, ?]. 1990 [?, ?, ?]. 1991 [?, ?, ?, ?, ?, ?, ?]. 1992 [?, ?, ?, ?, ?, ?, ?]. 1993 [?, ?, ?]. 1994 [?, ?]. 1995 [?, ?]. 1996 [?, ?]. 1b [?]. 1b-adrenergic [?]. 1D [?, ?]. 1S [?].

2 [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. 2- [?, ?]. 2-alkenylfurans [?]. 2-Aminoethanethiol [?]. 2-Aminoethanol [?]. 2-D [?, ?]. 2-diazacyclobutadienes [?]. 2-Dihydro-1 [?]. 2-dimethylcyclopropanone [?]. 2-Dithietes [?]. 2-electron [?]. 2-Hydroxypropanal [?]. 2-Hydroxypyridine [?]. 2-isomer [?]. 2-Nitrophenylcyanate [?]. 2-Nitrophenylthiocyanate [?]. 2-Pyridone [?, ?]. 2-substituted-1 [?]. 2-Trifluoromethylvinyl [?]. 2/6 [?]. 2/6-31 [?]. 20-component [?]. 202nd [?]. 21G [?]. 21st [?]. 23S [?]. 273K [?]. 28H4 [?]. 29-July [?]. 2D [?]. 2e [?]. 2N [?]. 2nd [?, ?, ?]. 2NH [?].

3 [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. 3-21G [?]. 3-540-57801-3 [?]. 3-540-57962-1 [?]. 3-540-58703-9 [?]. 3-Aminopropionamide [?]. 3-calculated [?]. 3-center [?]. 3-di- [?]. 3-dialkylnitroxybenzenes [?]. 3-Didehydroproline [?]. 3-dienes [?]. 3-Diketopiperazine [?]. 3-Dimensional [?]. 3-dimethylimidazol-2-ylidene [?]. 3-Dimethyluracil [?]. 3-Dipolar [?]. 3-Isothiazolones [?]. 3-j [?]. 3-methyl [?]. 3-pyridinecarboxylic [?]. 3-Pyridyl- [?]. 3-substituted [?]. 3-Triazole [?]. 31G [?, ?]. 330 [?]. 3d [?, ?, ?]. 3p [?]. 3prime [?]. 3S [?].

4 [?, ?, ?]. 4- [?]. 4-31G [?]. 4-aminobutanol [?]. 4-chloro-indole-3-acetic [?]. 4-Currents [?]. 4-dihydropyridines [?]. 4-Diphenylpentane [?]. 4-Nitro-1 [?]. 4-phenylene [?]. 4-trioxane [?]. 4.2 [?]. 45.00 [?]. 48 [?]. 4CuCl [?]. 4d [?]. 4th [?, ?].

5 [?, ?, ?, ?]. 5- [?]. 5-C [?, ?]. 5-Contracted [?]. 5-Fluorouracil [?]. 5-hexatriene [?]. 5-HT [?]. 5-lipoxygenase [?]. 5-Me [?]. 5-tetranitroimidazole [?]. 5-trinitroimidazole [?]. 55A [?].

6 [?, ?]. 6-31 [?, ?]. 6-31G [?]. 6-benzyl [?]. 6-dihydronicotinic [?]. 6-Dimethoxy-1 [?]. 6-furfuryl [?]. 6-j [?]. 6-thioguanine [?]. 60th [?].

7-cyclooctatetraene [?].

8-tetrachlorodibenzo-p-dioxin [?].

9 [?, ?]. 9-dimethylguanine [?]. 9-j [?].

= [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

A/T [?]. AA [?]. Ab-initio [?, ?, ?, ?]. Abacus [?, ?]. able [?]. above [?]. above-threshold [?]. abrupt [?]. Absolute [?, ?]. Absorbed [?]. Absorption [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Abstraction [?, ?, ?, ?, ?]. AC [?]. Academic [?, ?, ?, ?, ?]. Acceleration [?, ?]. accelerator [?]. Accelerators [?]. Acceptor [?, ?, ?, ?, ?, ?, ?]. acceptors [?]. Account [?, ?]. Accounts [?]. ACCs [?]. Accuracy [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Accurate [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ACE [?]. ACES [?]. Acetaldehyde [?]. Acetaldehyde/Vinyl [?]. Acetaldimine [?]. Acetaldimine/Vinylamine [?]. acetate [?, ?]. Acetic [?, ?, ?, ?, ?, ?]. Acetone [?, ?, ?]. Acetonitrile [?]. Acetyl [?]. Acetylene [?, ?, ?, ?, ?]. Acetyloxyl [?]. acetylpropanamide [?]. ACh [?]. AChE [?, ?]. AChE-catalyzed [?, ?]. Achieving [?]. Acid [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Acid-Base [?]. Acidic [?]. Acidities [?, ?, ?, ?]. Acidity [?]. Acids [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ACPQ [?, ?]. acrylonitrile [?, ?]. action [?, ?, ?]. Activated [?]. Activating [?]. Activation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Activation/Cyclization [?]. Active [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Active-site [?, ?, ?]. Active-Space [?]. Activity [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. actual [?]. Actually [?]. Acylation [?, ?, ?]. acylhydrazones [?]. ad [?]. Adams [?]. Adaptation [?]. Adapted [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Adatom [?]. adatoms [?]. Addendum [?, ?, ?]. Addition [?, ?, ?, ?, ?, ?]. additions [?]. Additive [?]. additivity [?]. Adducts [?, ?]. Adenine [?, ?, ?, ?, ?, ?]. Adiabatic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Adiabaticity [?]. Adjoint [?]. Adler [?]. admissibility [?]. adrenergic [?, ?]. adrenoceptor [?, ?, ?]. Adsorbate [?, ?]. Adsorbates [?, ?, ?, ?, ?]. Adsorbed [?, ?, ?, ?, ?, ?, ?]. Adsorption [?, ?, ?, ?, ?, ?, ?, ?, ?]. Advanced [?, ?, ?]. Advances [?, ?, ?, ?]. Advantages [?]. Affinities [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Affinity [?, ?, ?, ?, ?, ?]. aflatoxin [?]. AG [?, ?, ?, ?, ?, ?, ?, ?, ?]. AgCl [?]. agent [?]. agents [?, ?, ?, ?]. AgF [?]. Aggregate [?, ?, ?]. Aggregates [?]. Aggregation [?, ?, ?, ?]. Agonist [?, ?, ?]. Agostic [?]. AGP [?]. Agreement [?]. AH [?, ?]. Aib [?]. Aid [?, ?, ?]. aims [?]. Al [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Al-doped [?]. alanine [?]. Alberte [?]. Alcohol [?, ?, ?, ?, ?]. Alcohols [?, ?]. alcoholysis [?]. Aldehyde [?]. Aldehydic [?]. Alder [?, ?, ?]. Algebra [?, ?, ?, ?, ?, ?]. Algebraic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Algebrants [?, ?, ?]. Algorithm [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Algorithmic [?]. Algorithms [?, ?, ?, ?, ?, ?, ?, ?]. AlH [?, ?]. alignment [?]. aliphatic [?, ?]. Alkali [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Alkali-Doped [?, ?]. alkali-earth [?]. Alkaline [?, ?, ?, ?, ?, ?, ?, ?]. Alkaline-Earth [?]. Alkaline-Earth-Intercalated [?]. alkaloids [?]. Alkane [?, ?]. Alkanes [?, ?, ?, ?]. Alkenes [?]. alkenylfurans [?]. Alkoxo [?]. Alkoxo-Bridged [?]. Alkyl [?]. alkylating [?, ?]. Alkylation [?]. Alkylidenes [?]. Alkylperoxyl [?]. Alkynes [?]. All- [?]. All-Electron [?, ?, ?, ?, ?]. All-trans [?, ?, ?]. All-Valence [?, ?]. Allene [?]. Allinger [?]. allotropic [?]. Allowed [?]. alloy [?, ?, ?]. Alloys [?, ?, ?]. Allyl [?, ?, ?]. allyl-nickel [?]. Allylic [?, ?]. almost [?]. AlO [?]. Along [?, ?, ?, ?, ?, ?, ?]. alpha [?, ?, ?, ?]. alpha-Aminoisobutyric [?]. alpha-function [?]. alpha-particles [?]. Alternant [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Alternating [?]. Alternation [?, ?, ?, ?, ?]. Alternative [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Altmann [?]. Alumina [?, ?]. Aluminum [?, ?, ?, ?, ?, ?, ?, ?, ?]. AM [?, ?, ?]. AM1 [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. AM1-based [?]. am7 [?]. America [?]. American [?]. Amides [?, ?, ?]. Amine [?]. Amino [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Amino-Nitro [?]. Aminoalkylation [?]. aminobutanol [?]. aminobutyric [?]. Aminoethanethiol [?]. Aminoethanol [?]. aminohexanoic [?]. aminoimidazole [?]. Aminoisobutyric [?]. aminopentane [?]. aminophenyl [?]. Aminopropionamide [?]. Ammonia [?, ?, ?, ?, ?]. AMO [?]. Among [?, ?, ?, ?]. Amorphous [?, ?, ?]. Amphipathic [?]. Amplitude [?, ?]. Amplitudes [?, ?, ?]. Amsterdam [?, ?]. Analgesic [?, ?]. analog [?]. analogous [?]. Analogs [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. analogues [?, ?]. Analyses [?, ?, ?]. Analysis [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. analysis [?, ?, ?, ?, ?, ?, ?, ?]. Analytic [?, ?, ?, ?, ?, ?, ?, ?]. Analytical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Analyticity [?]. Analyze [?, ?, ?, ?]. Analyzing [?, ?, ?, ?]. Ancillary [?]. and/or [?]. Andreas [?]. androstane [?]. androstanediones [?]. anesthetics [?]. angle [?]. angles [?, ?]. Angular [?, ?, ?, ?, ?]. angularly [?]. Anharmonic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Anharmonicity [?, ?]. anhydrase [?]. anhydride [?]. Anion [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Anionic [?, ?, ?, ?, ?, ?]. Anions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Anisole [?]. Anisotropic [?, ?, ?, ?, ?, ?]. Anisotropies [?, ?]. Anisotropy [?]. Annealing [?, ?, ?, ?, ?, ?, ?]. Annihilation [?]. Announcement [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

Anomalous [?, ?]. anomeric [?]. Ansatz [?, ?]. ansätze [?]. Antagonist [?, ?]. Antagonists [?, ?, ?, ?]. Antalya [?]. Antarafacial [?]. anthracene [?]. anthraquinone [?]. anti [?, ?]. anti-malarial [?]. Antiaromaticity [?, ?, ?]. antibiotic [?]. antibiotics [?]. Antibound [?]. anticancer [?, ?]. Anticonvulsant [?, ?]. Anticonvulsivant [?]. antidepressant [?]. Antiferromagnetic [?, ?]. antihydrogen [?]. antileishmanial [?]. antimalarial [?, ?]. antioxidant [?]. antiparallel [?, ?]. Antiparallel-spin [?]. antisite [?]. Antisymmetry [?, ?]. Antitumor [?, ?, ?]. Antiviral [?]. Any [?, ?]. Aperiodic [?, ?, ?]. Apoenzyme [?]. Apomorphines [?]. appearing [?]. Applicability [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Application [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Application [?, ?, ?, ?]. Applications [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Applied [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Approach [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. approach [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Approaches [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Appropriate [?, ?]. Approximants [?, ?, ?]. Approximate [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Approximately [?]. Approximating [?, ?]. Approximation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Approximations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Aquatic [?]. Aqueous [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Aquifer [?, ?]. Ar-HCO [?]. arbitrarily [?]. Arbitrary [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. architectures [?]. Area [?, ?]. arginine [?]. Argon [?, ?, ?, ?, ?, ?, ?]. Arithmetic [?]. Arnaut [?]. Arnold [?]. Aromatic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Aromaticity [?, ?, ?, ?, ?]. aromatics [?]. array [?]. arsenide [?]. Artemisinin [?]. Artemisinin-like [?]. Arthur [?]. artifact [?]. Aryl [?]. Arylamines [?]. arylethylidene [?]. arylidene [?]. ASA [?]. ASADH [?]. ASADH-A [?]. ASED [?]. ASED-Mo [?]. ASI [?, ?, ?]. Asp [?]. Asp-158 [?]. aspartic [?]. aspect [?]. Aspects [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Assembly [?, ?, ?]. Assessing [?, ?]. Assessment [?, ?, ?, ?]. Assignment [?]. Assignments [?]. Assisted [?, ?, ?]. Associated [?, ?, ?, ?, ?, ?]. Association [?, ?]. associative [?]. Astronomy [?]. Astronomy-inspired [?]. Astrophysics [?]. Asymmetric [?, ?]. Asymmetrical [?]. Asymmetries [?]. Asymmetry [?]. Asymptotic [?, ?, ?, ?, ?, ?, ?]. Asymptotics [?, ?].

Atkins [?]. Atom [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Atom- [?]. Atom-Atom [?, ?]. Atom-Symmetric [?]. Atom-Vacancy [?]. Atomic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. atomic-electron [?]. Atomic-Molecular [?]. Atomistic [?]. Atomization [?]. Atoms [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Attachment [?, ?]. Attack [?, ?]. attacking [?]. Attempts [?, ?]. Attraction [?, ?, ?]. Attractive [?]. aufbau [?]. Augmented [?, ?, ?, ?]. August [?]. AuPt [?]. Aurora [?]. autocorrelation [?]. Autodissociative [?]. Automata [?, ?]. automatic [?]. Auxiliary [?, ?, ?, ?, ?]. Auxin [?, ?, ?]. auxins [?]. Average [?, ?, ?, ?, ?, ?, ?]. Averaged [?, ?, ?, ?, ?, ?]. Averages [?, ?, ?]. Avery [?]. Avian [?]. avoid [?]. avoided [?]. avoiding [?]. AX [?]. Axial [?, ?, ?]. azabenzenes [?]. azaborines [?]. Azabutadienes [?]. Azasilatranes [?]. Azide [?, ?]. Azido [?]. Azines [?]. aziridines [?]. Azo [?]. Azotobacter [?]. azulene [?, ?].

B [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. B-DNA [?]. B-spline [?]. B.C.C [?]. B.V [?]. B3 [?]. B3LYP [?]. Ba [?, ?, ?]. Bacillus [?]. Back [?]. Back-of-envelope [?]. Backbone [?, ?, ?]. Backbone/Side [?]. Backbone/Side-Group [?]. backbones [?]. Background [?]. bacterial [?]. bacteriophage [?]. Bacteriorhodopsin [?, ?]. Balance [?, ?, ?, ?]. Balanced [?]. Band [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Band-Structure [?]. Bands [?, ?, ?, ?, ?]. barbituric [?]. Bare [?, ?, ?]. Bargmann [?]. barrelene [?]. barrelene-based [?]. Barrier [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Barriers [?, ?, ?, ?, ?, ?, ?, ?]. Barry [?]. Base [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Base-Pair [?, ?]. Based [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Bases [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Basic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Basicity [?, ?]. Basis [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. basis [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Basis-Set [?, ?, ?, ?, ?, ?]. BaTiO [?]. bay [?, ?]. bay- [?]. bcc [?]. BCS [?, ?]. Be [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. BeC [?]. Becke [?]. become [?]. BeFH [?]. beginnings [?, ?]. BeH [?, ?, ?]. Behave [?]. Behavior [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. behind [?]. being [?]. Beings [?]. BEM [?]. Benchmark [?, ?, ?]. bend [?]. Bending [?, ?]. Benoxaprofen [?]. Bent [?, ?]. Bent-bond [?]. benz [?]. Benzaldehydes [?]. Benzene [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Benzene-Tetracyanoethylene [?]. BenzeneAr [?]. Benzenes [?, ?]. Benzenoid [?, ?, ?, ?, ?, ?]. benzenoids [?]. benzo [?, ?]. Benzocyclobutadiene [?]. Benzocyclobutadienes [?]. Benzocyclobutenes [?]. benzodiazepine [?, ?]. benzofuran [?]. Benzohydroquinone [?]. benzoic [?, ?]. Benzoyloxyl [?]. benzyl [?]. benzylidene [?]. Benzylimidazole [?]. Bergman [?]. Berlin [?, ?, ?, ?]. Bernard [?, ?]. Berry [?]. Beryllium [?, ?, ?, ?, ?, ?, ?, ?]. Bessel [?, ?]. Bethe [?, ?, ?, ?, ?]. Between [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Beyer [?]. Beyond [?, ?, ?, ?, ?]. BH [?, ?, ?, ?, ?]. Bi [?, ?]. bi-orthogonal [?]. Bibliography [?]. bicyclo [?]. Bicyclobutane [?]. bifurcated [?, ?]. big [?]. bilayer [?]. Bilirubin [?, ?]. Binary [?]. Binding [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Binney [?]. Binomial [?]. Binuclear [?, ?, ?]. BiO [?]. Biochemical [?, ?, ?, ?]. Biochemistry [?, ?]. Bioctahedral [?]. Biographical [?, ?, ?, ?, ?]. bioligand [?]. biological [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Biologically [?, ?, ?, ?, ?]. biology [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. biomembranes [?]. biomimetic [?]. Biomolecular [?, ?, ?, ?, ?]. Biomolecules [?, ?, ?, ?]. Bioorganic [?]. biopolymers [?, ?]. Biorthogonal [?]. biosynthetic [?]. Biosystems [?, ?, ?]. bipolaron [?]. bipyridyl [?]. Biradical [?, ?]. Birge [?]. birthday [?]. Bis [?, ?, ?]. Bis- [?]. bisbenzylisoquinoline [?]. Bisected [?]. bisector [?]. Bisnitroxyphenylethylene [?]. Bistability [?]. bitetrahedryl [?]. bithiophene [?]. Biuret [?]. BK [?]. Blackwell [?]. Blanchard [?]. Bloch [?, ?, ?, ?, ?, ?]. Block [?]. Blockade [?]. Blocks [?, ?]. blood [?]. Blue [?]. Blueshifts [?, ?]. BN [?, ?, ?, ?]. Bob [?]. Boc [?]. bodies [?]. Body [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Bohm [?]. Boltzmann [?, ?]. Bonchev [?]. Bond [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Bond-Breaking-Bond-Forming [?]. Bond-centered [?]. Bond-Cleavage [?]. Bond-Formation [?]. bond-forming [?]. Bond-Polarizable [?]. bond-rupturing [?]. Bonded [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Bonding [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Bonds [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Book [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Books [?, ?]. Boolean [?]. Borabenzene [?]. Borane [?]. boranes [?]. borazine [?]. borealis [?]. Born [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Born-von [?]. Boron [?, ?, ?, ?, ?, ?, ?, ?]. boron-like [?]. Boron-Nitrogen [?]. Boronlike [?]. borrowing [?]. Bose [?]. Boson [?]. Bosonic [?]. Boston [?, ?]. Both [?, ?, ?, ?]. bottlenecks [?]. Bound [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Boundaries [?, ?]. Boundary [?, ?, ?, ?, ?, ?, ?]. Bounded [?]. Bounds [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Box [?, ?, ?, ?, ?]. Boxes [?, ?, ?]. Boys [?]. BPh [?]. Br [?]. Bragg [?]. brain [?]. Branch [?]. branched [?]. branching [?]. Brandt [?]. Breach [?]. Breaking [?, ?, ?, ?, ?, ?, ?]. breaks [?]. breakthrough [?]. Breathing [?]. Breit [?, ?, ?, ?, ?]. Brewer [?]. bridge [?]. Bridged [?, ?, ?, ?, ?]. Bridges [?]. Brillouin [?, ?, ?, ?, ?]. Britain [?]. Broken [?, ?, ?, ?, ?, ?, ?]. Broken-symmetry [?]. bromide [?]. bromine [?]. Brownian [?]. Brueckner [?, ?, ?, ?, ?, ?, ?]. Brueckner-Coupled-Cluster [?]. BSSE [?, ?, ?, ?, ?, ?, ?]. BSSE-Free [?, ?, ?, ?, ?]. buckminsterfullerene [?, ?, ?]. Building [?, ?, ?, ?]. Built [?, ?, ?]. Bulk [?, ?, ?, ?]. bupivacaine [?]. Butadiene [?, ?, ?]. Butane [?]. Butenolide [?]. Butyl [?]. Butylbenzene [?]. butylcyclopropanone [?]. butyrolactone [?].

C [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. C- [?]. c-BN [?]. C-H [?]. c-Myb [?]. C-NMR [?]. CA [?, ?, ?, ?, ?, ?, ?, ?]. CaC [?]. cadmium [?]. CaF [?]. cage [?]. cages [?, ?, ?]. Calais [?, ?]. Calcium [?, ?]. Calculate [?, ?, ?, ?, ?]. Calculated [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Calculating [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Calculation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. calculation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Calculations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Calculations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. calculations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Calculus [?, ?]. Call [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Callaway [?]. Cambridge [?]. camphor [?]. Can [?, ?]. Cancer [?, ?, ?]. cancérisation [?, ?]. cancérogène [?]. Cannabinoid [?, ?]. cannabinoids [?]. Canonical [?, ?, ?]. capacities [?]. capacity [?, ?]. Capping [?]. Capture [?, ?, ?, ?, ?]. Car [?]. Carbanions [?]. Carbene [?, ?, ?]. Carbenes [?, ?, ?]. carbide [?]. Carbides [?]. Carbó [?]. carboanion [?]. carbocation [?]. Carbon [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. carbon- [?]. Carbon-Carbon [?]. Carbonic [?, ?]. Carbonyl [?, ?, ?, ?]. Carbonyls [?, ?, ?, ?, ?, ?]. Carborane [?]. Carborane-hydrocarbon [?]. Carboxyl [?]. Carboxylic [?, ?]. carbyne [?, ?]. carcinogen [?]. Carcinogens [?]. Cardiac [?]. cardiotonics [?]. Career [?]. Carlo [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Carotenoids [?]. carriers [?]. Cartesian [?, ?, ?, ?, ?, ?]. CAS [?, ?, ?]. CAS-SCF [?]. case [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. cases [?, ?]. Casimir [?, ?]. CASMP2 [?]. CASPT2 [?]. CASSCF [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. CASVB [?, ?]. Catacondensed [?]. Catalysis [?, ?, ?, ?, ?, ?]. Catalysts [?, ?]. Catalytic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. catalyzed [?, ?, ?, ?, ?, ?]. catastrophe [?]. catecholamine [?]. cathodic [?]. Cation [?, ?, ?, ?, ?, ?, ?, ?]. Cationic [?, ?, ?]. Cations [?, ?, ?, ?, ?, ?, ?, ?, ?]. Cauchy [?]. Caused [?, ?]. causing [?]. Cavities [?, ?, ?]. Cavity [?]. CBC [?]. CC [?]. CCCH [?]. CCD [?, ?]. CCSD [?, ?, ?, ?]. CCSDT [?]. CD [?, ?, ?, ?]. CdS [?]. CECAM [?, ?]. CECAM-NSF [?]. Cell [?, ?, ?, ?, ?, ?, ?]. Cell-Shedding [?]. Cells [?, ?, ?]. Cellular [?, ?]. Cellulose [?, ?]. Center [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Centered [?, ?, ?, ?]. Centers [?, ?, ?, ?]. central [?, ?, ?, ?]. centricity [?]. Century [?]. CEQ [?]. cerium [?]. Certain [?, ?, ?, ?, ?, ?, ?]. CF [?, ?]. CFHH [?, ?]. CFPHGLF [?]. CG [?]. CGA [?]. CGCGTTAACGCG [?]. CH [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Chain [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Chain-Length-Dependent [?]. chainlike [?]. Chains [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Chairman [?]. Chalcogenides [?]. challenge [?, ?, ?]. Challenges [?]. Challenging [?]. Chalmers [?]. Change [?, ?, ?]. Changes [?, ?, ?, ?, ?, ?]. Changing [?]. channel [?, ?]. channeling [?]. Chaos [?, ?, ?]. Character [?, ?, ?, ?, ?, ?, ?, ?, ?]. Characteristic [?, ?, ?, ?]. Characteristics [?, ?, ?, ?, ?, ?, ?, ?]. Characterization [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Characterizations [?]. Characters [?]. Charge [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Charge- [?]. Charge-Conjugation [?]. Charge-dependent [?]. Charge-Exchange [?]. Charge-Mediated [?]. Charge-Transfer [?, ?, ?, ?, ?, ?, ?, ?, ?]. Charged [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Charges [?, ?, ?, ?, ?, ?, ?, ?]. CHD [?]. Chebyshev [?]. chelates [?]. Chemical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. chemical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Chemical/Molecular [?]. chemically [?]. Chemisorbed [?]. Chemisorption [?, ?, ?, ?, ?, ?, ?, ?]. Chemistry [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. chemistry [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Chemists [?]. Chichester [?, ?]. chimeric [?]. chiral [?]. Chirality [?]. Chiroptical [?]. Chirped [?]. Chloride [?, ?]. chlorinated [?, ?]. chlorine [?, ?]. chlorine-oxygen [?]. chloro [?]. Chlorophyll [?, ?]. chlorpromazine [?]. CHO [?, ?, ?]. Choice [?, ?, ?, ?]. choices [?]. Christoffersen [?]. chromophore [?]. Chromophores [?, ?]. Chymotrypsin [?]. CI [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. CI-based [?]. Cinchonidine [?]. Circle [?]. circuit [?]. Circuits [?]. circulants [?]. CIS [?, ?, ?, ?, ?, ?, ?, ?, ?]. cis}- [?]. cis}-Cycloadducts [?]. cis}-Stilbene [?, ?]. CISD [?]. Cl [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Claredon [?]. Clarendon [?, ?]. Class [?, ?, ?, ?, ?, ?, ?, ?]. Class-sum [?]. Class-Sums [?, ?, ?, ?]. Classes [?]. Classical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Classification [?, ?, ?, ?]. Claude [?]. Cleavage [?, ?]. Clementi [?, ?, ?, ?]. Clifford [?, ?]. Cliffs [?]. Clifs [?]. ClO [?, ?, ?]. Cloppa [?]. Close [?]. Closed [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Closed- [?]. Closed-Shell [?, ?, ?, ?, ?, ?, ?, ?]. Closure [?]. Clothing [?]. cloud [?]. Cluster [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Cluster-Series [?]. Cluster-Size [?]. cluster-type [?]. Clustering [?, ?]. Clusters [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. CN [?, ?, ?, ?, ?, ?]. CNDO [?, ?, ?]. CO [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. CoAl [?]. Cobalt [?, ?, ?]. Cocatalysis [?]. CoCl [?]. coefficient [?, ?]. Coefficients [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Coenzyme [?]. Cofactors [?]. cognition [?]. Coherence [?, ?]. Coherent [?, ?, ?, ?, ?]. coherent-dissipative [?]. coiled [?]. coils [?]. Coinage [?]. cold [?]. Coleman [?]. Collaborator [?]. Collapse [?]. Colle [?, ?]. collective [?]. college [?]. collinear [?]. Collision [?, ?, ?, ?]. Collision-Induced [?, ?]. Collisional [?]. Collisions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. collocation [?]. color [?]. color-pairing [?]. colorful [?]. COLUMBUS [?]. Combination [?, ?, ?, ?, ?]. Combinatorial [?, ?]. Combine [?]. Combined [?, ?, ?, ?, ?]. combining [?]. CoMFA [?]. Comformational [?]. Commack [?]. comment [?]. Comments [?, ?, ?, ?, ?, ?]. Common [?, ?, ?]. Commutator [?]. Como [?]. Companions [?]. Comparability [?]. Comparative [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. compared [?, ?, ?]. comparing [?, ?]. Comparison [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Comparisons [?, ?, ?, ?, ?]. Compensation [?]. Competition [?]. Complementarities [?]. Complementary [?]. Complete [?, ?, ?, ?, ?, ?, ?]. Completeness [?, ?]. Complex [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Complexation [?]. Complexes [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Complexity [?]. Component [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Components [?, ?, ?]. composite [?]. Compound [?, ?, ?]. Compounds [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Comprehensive [?, ?]. Compressed [?]. compression [?]. Compton [?, ?, ?, ?]. Computation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Computational [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. computationally [?, ?]. Computations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Compute [?, ?, ?]. Computed [?, ?, ?, ?, ?, ?, ?]. Computer [?, ?, ?, ?, ?, ?, ?, ?]. computers [?, ?, ?, ?]. Computing [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Concentration [?, ?]. concept [?, ?]. Concepts [?, ?, ?, ?, ?, ?, ?, ?, ?]. Concerning [?, ?, ?]. Concerted [?]. Concluding [?]. condensate [?]. Condensation [?, ?, ?]. Condensed [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Condensed-Phase [?, ?, ?]. Condition [?, ?, ?]. conditioned [?, ?]. Conditions [?, ?, ?, ?, ?, ?, ?, ?]. Condon [?, ?, ?, ?, ?, ?, ?, ?, ?]. conductance [?]. conducting [?, ?]. conduction [?]. conductive [?, ?]. Conductivity [?, ?, ?, ?, ?]. conductor [?]. conductor-like [?]. conductors [?, ?]. conduisant [?]. cone [?, ?]. conference [?, ?, ?]. Configuration [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. configuration-interaction [?]. Configuration-Interaction-Oriented [?]. Configurations [?, ?, ?, ?, ?]. Confined [?, ?, ?, ?, ?]. Confinement [?, ?, ?]. confinements [?]. Confirmation [?]. conformal [?]. Conformation [?, ?, ?, ?, ?, ?, ?]. Conformation-Transitional [?]. Conformational [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Conformationally [?]. Conformations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Conformers [?, ?, ?]. Congress [?, ?, ?].

Conjecture [?]. conjectured [?]. Conjoint [?]. Conjugacy [?]. conjugate [?]. Conjugated [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Conjugation [?, ?, ?, ?, ?, ?]. Connect [?]. Connected [?, ?, ?]. Connecting [?]. Connection [?, ?, ?, ?, ?, ?, ?, ?]. Connections [?, ?]. Connectivity [?]. Conquer [?, ?]. Conrotatory [?]. conscious [?, ?]. Consequences [?, ?]. Conservation [?]. Consideration [?]. Considerations [?, ?, ?]. Considered [?]. Considering [?]. Consistency [?, ?, ?]. Consistent [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Constant [?, ?, ?, ?, ?, ?]. Constants [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Constrained [?, ?, ?, ?, ?, ?, ?, ?, ?]. Constraints [?, ?, ?, ?, ?]. constructed [?]. Construction [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Contact [?, ?]. Containing [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Contemporary [?]. Content [?, ?, ?]. Contents [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. context [?, ?]. continued [?]. Continuous [?, ?, ?, ?, ?, ?]. Continuum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Contour [?]. Contracted [?, ?, ?, ?, ?, ?, ?]. Contracting [?]. contraction [?, ?]. Contribution [?, ?, ?, ?]. Contributions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Control [?, ?, ?, ?]. Controlling [?]. Conventional [?, ?]. converged [?]. Convergence [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Convergent [?]. Conversion [?, ?]. Converters [?]. convolution [?]. Cooper [?, ?]. Cooperative [?]. Cooperativity [?, ?]. Coordinate [?, ?, ?, ?, ?, ?, ?, ?, ?]. coordinated [?]. Coordinates [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Coordination [?, ?, ?]. copacking [?]. Copenhagen [?]. coplanar [?]. copolymers [?]. Copper [?, ?, ?, ?, ?, ?, ?]. Core [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Core-Level [?, ?]. core-optimized [?]. Core-Valency [?]. Coriolis [?, ?]. Coronene [?]. Coronene-Coronene [?]. Correct [?, ?]. Corrected [?, ?, ?, ?, ?, ?, ?, ?, ?]. Correction [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Corrections [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Correctly [?]. corrector [?]. Correlated [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Correlation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. correlation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Correlation-Corrected [?]. Correlation-Energy [?, ?, ?]. Correlation-Factor [?]. Correlation-Kinetic [?, ?]. Correlations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Correspondence [?, ?]. Corresponding [?]. corrugation [?]. Costs [?]. Could [?]. Coulomb [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

Coulomb-Hole [?]. Coulomb-Hole-Hartree [?]. Coulombic [?, ?]. Count [?, ?]. counterexample [?]. Counterion [?, ?]. counterions [?]. Counterpoise [?, ?]. Coupled [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. coupled-channel [?]. Coupled-Cluster [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Coupled-Cluster-Type [?]. Coupled-Pair [?, ?]. Couples [?]. Coupling [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Coupling-Constant [?]. Couplings [?, ?, ?, ?]. Covalent [?, ?, ?, ?, ?]. Coverage [?]. CP [?, ?, ?]. Cp* [?]. CPHF [?, ?, ?]. Cr [?, ?]. Cracow [?]. CrC [?]. CrCO [?]. Created [?]. Creation [?]. Crick [?, ?]. cristobalite [?]. Criteria [?, ?, ?, ?, ?, ?]. Criterion [?, ?]. Critical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Critically [?]. CrO [?]. Cross [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Crossing [?, ?, ?, ?, ?, ?, ?]. crown [?]. Cryolite [?]. Crystal [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Crystal-Field [?]. crystal-orbital [?, ?, ?]. Crystalline [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Crystallization [?]. crystallography [?, ?]. crystallohydrates [?, ?, ?]. Crystals [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Cs [?, ?]. CSe [?]. CSF [?]. CSF-based [?]. Csizmadia [?, ?]. CT [?]. Cu [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Cu-C [?]. Cu-like [?]. cubane [?]. Cubic [?, ?, ?, ?, ?, ?, ?, ?]. Cubic-Grid [?, ?, ?]. cuboctahedron [?]. cubylcubane [?]. CuCl [?, ?]. CuH [?, ?]. Cumulant [?]. cumulants [?]. Cumulative [?, ?]. CuO [?, ?, ?, ?]. Cuprate [?, ?, ?]. Current [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Currents [?, ?, ?, ?]. Curriculum [?, ?, ?]. Curvature [?, ?]. Curve [?, ?, ?, ?, ?, ?, ?, ?]. Curve-Crossing [?, ?, ?]. Curve-fitting [?]. Curves [?, ?, ?, ?]. cusp [?, ?]. Cutoff [?]. Cuts [?]. Cvitanović [?]. cyanate [?]. Cyanide [?, ?]. Cyano [?]. Cyanoacetylene [?]. Cyanoketine [?]. Cycle [?, ?]. Cyclic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. cyclicity [?, ?]. Cyclization [?]. Cycloaddition [?, ?, ?, ?, ?]. Cycloadditions [?, ?]. Cycloadducts [?]. cyclobutadiene [?]. Cyclobutene [?]. cyclodecyl [?]. cyclodextrin [?, ?]. Cyclododecapeptide [?]. cyclooctatetraene [?, ?]. Cyclopenta [?, ?]. Cyclopenta-Polycyclic [?]. Cyclopentadiene [?, ?]. Cyclopentadiene-Based [?]. cyclopentaldienyl [?]. cyclopropabenzene [?]. cyclopropan [?]. cyclopropanone [?]. cyclotrimer [?]. Cysteine [?]. cytochrome [?, ?, ?, ?]. Cytosine [?, ?, ?, ?, ?, ?, ?].

D [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. d’activation [?]. Dahmen [?]. DAN [?]. Dancoff [?, ?]. dans [?]. Data [?, ?, ?, ?]. Dative [?]. David [?, ?]. Davidson [?]. Davydov [?]. Day [?]. dC [?]. DCl [?]. DCNQI [?]. DCS [?, ?, ?, ?]. deactivation [?]. deacylation [?]. deaminations [?]. deaminoarginine [?]. Debye [?]. decane [?]. Decarboxylation [?, ?]. Decay [?, ?, ?, ?, ?]. Decomplexation [?]. Decomposition [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Decompositions [?, ?]. decoupled [?, ?]. Decoupling [?]. decsilane [?]. Dedication [?]. Deduced [?, ?, ?]. Deep [?]. Defect [?, ?, ?, ?]. Defects [?, ?, ?, ?, ?, ?, ?, ?, ?]. Deficiency [?]. Define [?]. Defined [?]. defining [?]. Definite [?, ?]. Definition [?, ?, ?, ?, ?]. Deformation [?]. Deformations [?]. deformed [?]. Defranceschi [?, ?]. Degeneracy [?]. Degenerate [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. degenerated [?]. degree [?]. Degrees [?]. Dehydration [?]. dehydroalanine [?]. Dehydrogenase [?, ?, ?, ?]. del [?]. del-operator [?]. Delayed [?]. Delhalle [?]. Delocalization [?, ?]. Delocalized [?]. delta [?]. delta-doped [?]. Deltafunction [?]. Denmark [?]. Dennis [?]. denominator [?]. dense [?, ?, ?]. Densities [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Density [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Density [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Density [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. density [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Density-Dependent [?, ?]. Density-Functional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Density-gradient [?]. density-gradient-expansion [?]. Density-Matrix-Response [?]. deoxyadenosine [?]. Deoxymyoglobin [?]. deoxythymidine [?]. depedence [?]. Dependence [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Dependencies [?, ?, ?]. Dependent [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Depleting [?]. depletion [?]. Depopulation [?]. Deposition [?, ?, ?]. depositions [?]. depth [?]. Depths [?]. Derivation [?, ?, ?, ?, ?, ?, ?, ?]. Derivative [?, ?, ?, ?, ?, ?, ?]. Derivatives [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Derived [?, ?, ?, ?, ?, ?, ?, ?]. dermal [?]. descent [?]. Describe [?]. Described [?, ?, ?, ?]. Describing [?, ?, ?, ?]. Description [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

Descriptions [?, ?, ?, ?, ?]. descriptor [?]. Descriptors [?, ?, ?, ?, ?]. Design [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. designing [?, ?]. desorption [?]. Destabilization [?]. Detachment [?, ?]. Detailed [?]. Determinantal [?, ?, ?]. Determinants [?, ?, ?, ?, ?, ?]. Determination [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Determine [?, ?, ?]. Determined [?, ?]. Determining [?, ?, ?, ?, ?]. Detour [?]. developed [?]. Development [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Developments [?, ?, ?, ?]. Deviation [?]. devices [?]. Devoted [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. DEWAR [?, ?, ?]. DEWAR-PI [?]. Dexanabinol [?]. DF [?]. DFT [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. DFT-evaluated [?]. DFT-LDA [?]. dG [?]. Di- [?]. Diabatic [?]. Diacetylene [?]. Diagnosing [?]. Diagonal [?, ?, ?]. Diagonalization [?, ?]. Diagram [?]. Diagrammatic [?, ?, ?, ?]. diagrams [?, ?]. dialane [?]. dialkylnitroxybenzenes [?]. Diamagnetic [?]. Diamond [?]. Diamondlike [?]. dianthryl [?]. Diatomic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Diatomics [?, ?, ?]. Diatomics-in-Molecules [?]. diazacyclobutadienes [?]. dibenzotricyclic [?]. Diborane [?]. dibucaine [?]. dication [?]. Dications [?, ?, ?]. Dicretization [?]. Didehydroproline [?]. Dielectric [?, ?, ?, ?, ?, ?, ?, ?]. dielectrica [?]. Dielectrics [?]. Diels [?, ?, ?]. diene [?]. dienes [?]. Dienophiles [?]. Dieter [?]. difference [?, ?]. Differences [?, ?, ?, ?, ?]. Different [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Differentiability [?]. Differential [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Difficult [?]. Difficulties [?]. Diffraction [?, ?]. Diffractionally [?]. diffuse [?, ?]. Diffusion [?, ?, ?, ?]. Diffusion-Limited [?]. Difluoride [?]. Difluoroacetylene [?]. difluorobenzene [?]. Difluorodiazete [?]. Difluorovinylidene [?]. digallane [?]. Dihedral [?, ?]. Dihydrated [?]. Dihydro [?]. dihydronicotinic [?]. dihydropyridines [?]. dihydroxynaphthalenes [?]. DIIS [?]. diisopropylaminoethylmethylphosphonothiolate [?]. Diketopiperazine [?]. dilated [?]. Dilations [?]. dilayer [?]. diluted [?]. Dimension [?, ?, ?, ?]. Dimensional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Dimensionality [?, ?]. Dimensionally [?]. Dimensions [?, ?, ?, ?, ?, ?, ?]. Dimer [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Dimer-Units [?]. Dimerization [?, ?, ?, ?, ?]. Dimers [?, ?, ?, ?]. Dimethoxy [?]. Dimethyl [?, ?, ?]. Dimethyl-Amine [?]. dimethylcyclopropanone [?]. dimethylguanine [?]. dimethylimidazol [?]. dimethylnitramine [?]. Dimethyluracil [?]. dinaphthonorbornadiene [?]. Dinuclear [?]. diol [?, ?, ?]. Dioxide [?, ?, ?, ?, ?, ?]. dioxin [?]. dioxodihalides [?]. Dioxygen [?, ?]. Diphenylacetylenes [?]. Diphenylpentane [?]. diphenylpolyenes [?]. Diphosphate [?]. dipolar [?, ?]. Dipole [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Dipole-Bound [?].

Dipole-Moment [?]. Dipole-Octupole [?]. Dipositronium [?]. Diprotonated [?]. dipyridyl [?]. Dirac [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Direct [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. directional [?]. Directly [?, ?]. Dirichlet [?, ?]. discovery [?]. Discrete [?, ?, ?, ?, ?, ?, ?]. discretized [?]. Discrimination [?]. disk [?]. Diskette [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. disorder [?]. Disordered [?, ?, ?, ?, ?, ?, ?]. dispersed [?]. Dispersion [?, ?, ?, ?, ?, ?, ?, ?]. Dispersion-Energy [?, ?]. Displaced [?]. Displacement [?, ?, ?, ?, ?, ?]. displacements [?]. Dissimilarity [?]. Dissipationless [?]. Dissipative [?, ?, ?, ?, ?, ?, ?, ?]. Dissociation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Dissociative [?, ?]. Dissociative-ionization [?]. Distance [?, ?, ?, ?, ?, ?]. Distances [?, ?, ?, ?, ?]. Distortion [?, ?, ?]. distortions [?]. Distributed [?, ?, ?, ?, ?]. Distribution [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Distributions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Disubstituted [?]. Disulfides [?]. Dithietes [?]. dithionite [?]. Divalent [?]. divergence [?]. divergence-free [?]. divergent [?]. Divide [?, ?]. Divide-and-Conquer [?, ?]. Division [?]. DM [?, ?, ?, ?]. DNA [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Do [?, ?, ?]. Doctoral [?]. dodecamer [?]. dodecylsulfate [?]. Does [?, ?, ?, ?]. Domain [?, ?, ?, ?, ?]. Domains [?]. dominant [?]. Donor [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Donor-Acceptor [?, ?, ?]. donor-bridge-acceptor [?]. donor-DNA-acceptor [?]. donor-pair [?]. Dopamine [?]. Doped [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. doping [?, ?, ?, ?, ?]. Dordrecht [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. dot [?]. Double [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. double-helix-mediated [?]. Double-Ionization [?]. Double-Linked [?, ?]. Double-Point [?, ?]. double-stack [?]. Doubles [?, ?]. Doublet [?, ?, ?]. Doubly [?, ?]. Douglas [?]. Dowrick [?]. Dressed [?, ?]. DRF [?]. Driven [?, ?]. Drude [?]. Drugs [?, ?, ?]. dry [?]. Dual [?, ?, ?, ?]. due [?, ?, ?, ?]. d’unification [?, ?]. duplex [?]. duration [?]. During [?, ?, ?]. Duschinsky [?]. dushinsky [?]. DV [?, ?, ?]. DV-X [?, ?]. DVR [?]. Dy [?]. Dye [?, ?]. Dyes [?, ?]. Dykstra [?]. Dynamic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Dynamical [?, ?, ?, ?, ?, ?, ?]. Dynamics [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. dynamics [?, ?, ?, ?, ?, ?, ?]. Dyson [?, ?]. Dyson-corrected [?]. DZP [?].

EA [?]. Early [?, ?]. Earth [?, ?, ?, ?, ?]. easier [?]. Eckart [?]. Eclipsed [?]. ed [?, ?, ?]. Ed. [?]. EDA [?]. Edge [?, ?, ?]. Edge- [?]. edge-to-loop [?]. Edited [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. edition [?, ?]. Editions [?]. Editor [?, ?]. Editorial [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Editors [?]. Eds [?]. Effect [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Effective [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. effectiveness [?]. Effects [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. effects [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Efficiency [?]. Efficient [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Efforts [?]. Eigenchannels [?]. Eigenfunctions [?, ?, ?, ?, ?, ?, ?]. Eigenproblems [?]. Eigenspectra [?]. Eigenstates [?, ?]. Eigenvalue [?, ?, ?, ?]. Eigenvalues [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Eigenvector [?]. Eigenvectors [?, ?]. eight [?]. Eighth [?]. Eighth-Order [?]. eikonal [?]. Einführung [?]. Einstein [?]. Einstein-like [?]. ejection [?]. El-Sayed [?]. Elastic [?, ?]. elastin [?]. elastomeric [?, ?]. Electric [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electric-Field [?, ?, ?, ?]. electroactive [?]. Electrochemical [?, ?]. Electrode [?, ?, ?]. Electrodeposition [?]. Electrodes [?, ?]. electrodynamics [?, ?, ?]. Electroluminescent [?]. Electromagnetic [?, ?]. Electron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. electron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electron-Electron [?, ?]. Electron-Hole [?]. Electron-Pair [?, ?, ?, ?]. Electron-Phonon [?]. Electron-Repulsion [?, ?]. Electron-Rich [?]. Electron-spin [?]. electron-transfer [?, ?]. Electron-withdrawing [?]. electronegativities [?]. Electronegativity [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electronic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electronic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. electronic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electronic-phase [?, ?]. electronically [?]. electronics [?, ?, ?, ?]. Electrons [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electrons-in-a-Box [?]. Electrophilic [?, ?, ?, ?, ?, ?]. electropolymerization [?]. Electrostatic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Electrostatics [?]. Element [?, ?, ?, ?, ?, ?]. Elemental [?, ?]. Elementary [?, ?]. Elements [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ELF [?]. Elimination [?, ?, ?, ?, ?]. Ellinger [?]. Ellipsoidal [?, ?, ?, ?]. Ellipsoidal-Coordinate [?]. Ellis [?]. Elongation [?, ?, ?, ?, ?]. Elsevier [?, ?, ?]. Embedded [?, ?, ?, ?, ?, ?]. Embedded-cluster [?]. Embedding [?, ?, ?]. embodiment [?]. Emission [?, ?, ?]. emitted [?]. Empirical [?, ?, ?, ?, ?, ?, ?, ?, ?]. Employing [?, ?, ?]. Enantioselective [?]. Encapsulated [?]. Enclosed [?, ?]. end [?, ?]. end-group [?]. Endo [?, ?]. Endo-Lone-Pair [?]. endohedral [?]. Ene [?]. enediyne [?]. Energetic [?, ?]. Energetics [?, ?, ?, ?, ?, ?, ?]. Energies [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Energy [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Energy [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. energy [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. energy-based [?]. Energy-Evaluating [?]. Energy-Partitioning [?]. Engineering [?, ?]. Englewood [?, ?]. enhanced [?]. Enkephalin [?, ?, ?, ?]. Enolate [?]. enolates [?]. Enrico [?, ?, ?, ?]. Ensemble [?, ?, ?, ?, ?, ?]. Ensemble-density [?]. Ensemble-representable [?]. Ensembles [?, ?, ?]. entanglements [?]. Enthalpic [?]. Entities [?]. entropic [?]. Entropies [?, ?]. Entropy [?, ?, ?, ?, ?, ?, ?, ?, ?]. envelope [?]. Environment [?, ?, ?, ?, ?, ?, ?, ?]. environmental [?, ?]. Environments [?, ?]. Enzymatic [?, ?, ?]. enzymatically [?]. Enzyme [?, ?, ?, ?, ?]. enzyme-inhibitor [?]. epitaxial [?]. epoxides [?, ?]. EPR [?, ?, ?, ?]. Epstein [?]. EPV [?]. Equalization [?, ?, ?, ?]. equally [?]. Equation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Equations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. equilibria [?]. Equilibrium [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Equivalence [?, ?]. equivalent [?]. Erdahl [?]. ergodography [?]. Ergotamine [?]. Ermer [?]. Erratum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Error [?, ?]. errors [?].

ESR [?]. essay [?]. essential [?]. Ester [?]. Esters [?, ?, ?, ?, ?, ?, ?]. estimate [?]. Estimates [?]. estimating [?]. estimation [?]. Estimations [?]. Etching [?]. Ethane [?, ?]. ethene [?]. Ether [?, ?]. Ethyl [?, ?, ?, ?]. Ethylene [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ethylenes [?, ?]. Ethylenic [?]. ethylester [?]. ethylguanidino [?]. Etiocholanes [?]. Eu [?]. EUCHEM [?]. Euler [?, ?, ?]. Eulerian [?]. Evaluate [?, ?]. evaluated [?, ?, ?]. Evaluating [?, ?]. Evaluation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Even [?]. evenly [?]. Event [?]. events [?]. Evidence [?, ?, ?, ?]. Evolution [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. evolutionary [?]. Ewald [?, ?, ?, ?]. Exact [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Exact-Exchange-Mixing [?]. Examination [?, ?, ?, ?, ?, ?, ?, ?]. Example [?, ?]. Examples [?, ?, ?, ?]. excess [?]. excess-energy [?]. Exchange [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. exchange- [?]. Exchange-Correlation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. exchange-coupled [?]. Exchange-Energy [?, ?, ?]. exchange-like [?]. exchange-only [?, ?]. exciplex [?]. excitable [?]. Excitation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Excitations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Excited [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Excited-State [?, ?, ?, ?, ?, ?]. Exciton [?, ?, ?, ?, ?, ?, ?, ?]. Exciton-Depleting [?]. Exclude [?]. excluded [?]. excluded-volume [?]. exclusion [?]. exemplified [?]. EXGEM [?]. Existence [?, ?, ?, ?, ?]. exo [?]. exo/endo} [?]. Expanded [?, ?, ?]. expanding [?]. Expansion [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Expansions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Expectation [?, ?, ?, ?]. Experiment [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Experimental [?, ?, ?, ?, ?, ?, ?, ?]. experimentellen [?]. Experiments [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. explain [?]. Explanation [?]. Explicit [?, ?, ?, ?, ?, ?]. Explicitly [?, ?, ?, ?, ?, ?, ?]. Exploiting [?, ?]. Exploration [?, ?]. Explorations [?, ?]. exploratory [?]. Exploring [?, ?, ?]. explosion [?]. Exponent [?]. Exponential [?, ?, ?, ?, ?]. Exponential-Type [?, ?, ?]. exponents [?, ?]. Expressions [?, ?, ?, ?, ?, ?, ?, ?, ?]. EXRHF [?]. Extended [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. extending [?]. Extension [?, ?, ?, ?, ?, ?, ?, ?]. extensive [?, ?]. External [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. extracule [?]. Extrapolation [?, ?, ?, ?]. Extremal [?, ?]. Extreme [?, ?, ?].

F [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. F. [?]. Face [?]. Face-Sharing [?]. Factor [?, ?, ?, ?, ?, ?, ?, ?]. Factored [?]. Factorization [?, ?, ?]. factorized [?, ?]. Factors [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. failure [?]. famous [?]. Faraday [?]. Fast [?, ?, ?, ?]. fate [?]. fatty [?]. Favorable [?]. FCP [?, ?]. Fe [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Fe-Al [?]. Fe-His [?]. feasibility [?]. features [?]. FeCO [?]. feedback [?]. Feenberg [?]. Fellows [?]. Femtosecond [?, ?]. FeN [?]. Ferguson [?]. Fermi [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Fermi-Edge [?]. fermion [?, ?, ?]. Ferredoxin [?]. ferrocene [?]. ferromagnets [?]. Feshbach [?, ?]. Few [?, ?, ?, ?, ?]. Few-Body [?, ?]. few-electron [?]. Feynman [?, ?, ?, ?]. FF [?, ?]. FFT [?]. FH [?]. fibered [?]. Fibonacci [?]. Field [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Field-Theoretic [?]. Fields [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. figures [?, ?, ?]. File [?]. Film [?, ?]. Films [?, ?, ?, ?, ?, ?]. find [?, ?]. Finding [?, ?, ?, ?]. Fine [?]. Fine-structure [?]. Finite [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Finite-Dimensional [?, ?]. Finite-Element [?]. Finite-Size [?, ?, ?, ?, ?]. First [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. First- [?, ?, ?, ?]. first-excited [?]. First-Order [?, ?, ?]. First-Principles [?, ?, ?, ?, ?]. First-Row [?, ?, ?, ?, ?]. Fisher [?]. Fission [?]. Fitted [?, ?, ?]. Fitting [?, ?, ?]. five [?]. Fix [?]. fixed [?]. flames [?]. flat [?, ?]. FLATER [?]. Flatland [?, ?]. Flavins [?]. Flavone [?, ?, ?]. Flavoproteins [?]. Flexibility [?]. flexible [?, ?, ?, ?]. Flipping [?, ?]. Floppy [?, ?]. Floquet [?, ?, ?, ?]. Flow [?, ?, ?]. Fluctuating [?, ?]. Fluctuation [?, ?, ?, ?]. Fluctuations [?, ?, ?, ?, ?]. Fluid [?, ?, ?, ?, ?]. fluids [?, ?]. Fluorescence [?]. fluorescences [?]. Fluoride [?, ?, ?, ?, ?]. Fluorides [?, ?]. fluorinated [?]. Fluorination [?, ?]. Fluorochloroethanes [?]. Fluoroethylidenes [?]. fluoroketene [?]. fluoroketene-imine [?]. Fluoronium [?]. Fluorophores [?]. fluoropropane [?]. fluorotoluene [?]. Fluorouracil [?]. Flux [?]. Flux-Flux [?]. fluxes [?]. FNO [?]. Fock [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Fock-CI [?]. Fockian [?]. Fold [?, ?, ?, ?]. folded [?]. Folding [?, ?, ?, ?, ?]. Forbidden [?, ?]. Force [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Forced [?]. Forces [?, ?, ?, ?, ?, ?, ?, ?, ?]. Forecast [?]. Foreword [?, ?]. Form [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. formacetal [?]. Formal [?, ?]. Formaldehyde [?, ?, ?, ?, ?, ?]. Formalism [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Formalisms [?]. Formamide [?, ?, ?, ?, ?, ?, ?]. formamidine [?, ?]. format [?]. Formation [?, ?, ?, ?, ?, ?, ?, ?]. formed [?]. Formhydroxamic [?]. Formhydroximic [?]. Forming [?, ?]. Formosinho [?]. Forms [?, ?, ?, ?]. Formula [?, ?, ?, ?, ?, ?, ?, ?]. formulae [?]. Formulas [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Formulation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. formulations [?, ?]. Formyloxyl [?]. Förner [?]. Forward [?]. Foundation [?, ?]. Foundations [?, ?, ?, ?]. Four [?, ?, ?, ?, ?, ?, ?, ?]. Four-Body [?, ?]. four-center [?, ?]. Four-Membered [?]. Fourier [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Fourth [?, ?, ?]. Fourth-Order [?]. FPLMTO [?]. Fr [?]. Fractal [?, ?, ?]. Fractals [?]. fraction [?]. Fractional [?, ?, ?, ?]. Fractionally [?, ?]. Fragment [?, ?, ?, ?, ?, ?, ?, ?]. Fragment-Based [?, ?]. Fragmentation [?, ?, ?, ?, ?]. Fragments [?, ?, ?, ?]. Frames [?]. Framework [?, ?, ?, ?, ?, ?, ?]. Frameworks [?]. France [?]. Franck [?, ?, ?, ?, ?, ?, ?, ?]. Frank [?, ?]. Free [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. free-base [?]. Free-Energy [?]. Free-Radical [?]. Freedom [?]. Freeman [?]. Freeon [?, ?, ?, ?]. Frequencies [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Frequency [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Frequency-Dependent [?, ?, ?, ?, ?, ?, ?]. Frictional [?]. Friedel [?]. Friedrichs [?]. Friend [?]. Frohlich [?, ?]. frontier [?, ?, ?]. Frontiers [?, ?, ?]. Frost [?]. Frozen [?, ?, ?, ?]. Frozen-Core [?, ?]. FSGO [?]. Fukui [?, ?, ?]. Fukutome [?]. Full [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Full-CI [?]. Full-Electron [?]. Full-Potential [?, ?]. Fullerene [?, ?, ?, ?, ?, ?, ?, ?, ?]. fullerene-related [?]. Fullerenes [?, ?, ?, ?, ?, ?]. fullerides [?, ?]. Fullerites [?]. Fully [?, ?, ?, ?, ?]. Function [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Functional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Functional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. functional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Functional-Based [?]. functional-group [?]. Functionals [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Functions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. functions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. fundamental [?, ?, ?, ?, ?]. Fundamentals [?, ?, ?, ?, ?]. funnel [?]. Furan [?, ?]. Furfuryl [?, ?]. Furfuryl- [?]. Further [?]. Fused [?]. fusion [?]. fuzzy [?]. fuzzy-set [?].

G [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. G* [?]. G1 [?]. G2 [?]. GA [?, ?, ?, ?, ?, ?, ?, ?]. GaAs [?, ?, ?, ?, ?, ?, ?, ?]. GABA [?]. GABAB [?]. Gadolinium [?]. galactose [?]. Gamma [?]. Gap [?, ?, ?, ?, ?, ?]. gaps [?]. Garrod [?]. Gas [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Gas-Phase [?, ?, ?, ?, ?, ?]. Gas-Surface [?]. Gases [?, ?, ?, ?]. Gauche [?, ?, ?]. Gauge [?, ?, ?, ?, ?]. gauge-invariant [?]. Gauges [?]. Gauss [?, ?]. Gaussian [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Gaussian-2 [?, ?]. Gaussian-based [?]. Gaussian-Orbital-Type [?]. Gaussian-Type [?, ?, ?, ?, ?, ?, ?, ?]. Gaussian-Type-Orbital [?]. Gaussians [?, ?, ?, ?]. GC [?]. GCA [?]. GCOSMO [?]. Gd [?, ?]. GdNbO [?]. Ge [?, ?, ?, ?]. GeCH [?]. GeH [?]. Gelfand [?]. Gell [?]. Gell-Mann [?]. Geminal [?, ?, ?, ?, ?, ?]. Geminals [?, ?, ?, ?]. geminate [?]. General [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Generalization [?, ?, ?, ?, ?, ?, ?, ?, ?]. Generalized [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Generalized-Gradient [?]. Generalized-Overlap [?]. generalized-valence-bond [?]. Generalizing [?]. Generated [?]. Generation [?, ?, ?, ?, ?, ?, ?]. Generator [?, ?]. generators [?, ?, ?, ?]. genesis [?]. genotoxicity [?]. Geometric [?, ?, ?, ?, ?, ?]. Geometric-phase [?]. Geometrical [?, ?, ?, ?, ?, ?, ?, ?]. Geometrically [?, ?, ?]. Geometries [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Geometry [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. George [?, ?]. German [?, ?]. Germanium [?, ?]. Germany [?]. germination [?]. Gerratt [?, ?, ?]. GeSiH [?]. Get [?]. GGAs [?]. Giant [?, ?, ?]. Ginzburg [?]. glass [?]. GLF [?, ?, ?]. Global [?, ?, ?]. globular [?]. Glutathione [?, ?]. Gly [?, ?]. Gly/NMDA [?]. Glycine [?, ?, ?]. glycol [?]. glycolic [?]. glycylcarbonyl [?, ?]. Glyoxalase [?]. glyoxylic [?]. Go [?]. gold [?, ?]. Golden [?]. Goldstone [?]. Goldstone-Type [?]. Good [?, ?]. Goodman [?, ?, ?, ?, ?, ?]. Gordon [?]. Gradient [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Gradient-Corrected [?, ?, ?, ?, ?, ?]. Gradient-Dependent [?]. Gradient-Optimization [?]. Gradients [?, ?, ?, ?, ?, ?, ?]. Gradus [?]. grafted [?]. Graph [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Graph-Theoretic [?]. graph-theoretical [?]. Graphical [?, ?, ?, ?, ?, ?, ?]. graphite [?, ?]. Graphs [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Gray [?]. Great [?]. Green [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Green-matrix [?]. Greenstein [?]. Grid [?, ?, ?, ?, ?, ?, ?]. Grids [?]. Griffin [?].

GROMOS [?]. GROMOS-MD [?]. groove [?]. groove-binding [?]. Ground [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ground-State [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. grounds [?, ?]. Group [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Group-Adapted [?, ?]. Group-Function [?]. Groups [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Grown [?]. Growth [?, ?]. Grundlagen [?]. GT [?]. GTF [?]. GTO [?, ?, ?]. GTOs [?]. guanidinium [?]. Guanine [?, ?, ?, ?, ?, ?, ?, ?]. guanine-cytosine [?, ?]. Gubbins [?]. guide [?]. Guidelines [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. gulf [?]. GVB [?, ?]. GVB-RP [?].

H [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. H [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. H-Bond [?, ?]. H-Bonding [?, ?]. H.-J [?]. Haken [?, ?]. Half [?, ?, ?, ?]. Half-Projected [?, ?, ?, ?]. halide [?]. halides [?]. Hall [?, ?, ?, ?, ?, ?, ?]. Halogen [?, ?]. Halogen- [?]. Halogenated [?, ?]. Halogenobenzoic [?]. halogenofurans [?]. Halogens [?]. Hamilton [?]. Hamiltonian [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hamiltonian-crystal [?]. Hamiltonians [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hammond [?]. Handbook [?, ?, ?]. Handed [?]. Hans [?]. Harbola [?]. hard [?]. hardbound [?]. Hardcover [?, ?, ?, ?, ?, ?]. Hardness [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. hardnesses [?]. Harmonic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. harmonically [?]. Harmonics [?, ?, ?, ?, ?, ?]. Harris [?, ?]. Hartree [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Having [?, ?]. HBr [?]. HCCCC [?]. HCCH [?]. HCl [?, ?, ?, ?, ?, ?, ?]. HCN [?, ?, ?]. HCO [?, ?]. HCOOH [?]. hcp [?]. HCSe [?]. HCuCH [?]. HD [?, ?]. He-like [?]. head [?]. head-to-tail [?]. heat [?, ?, ?]. heats [?, ?]. heavier [?]. Heavy [?, ?, ?, ?, ?, ?, ?, ?]. heavy-light-heavy [?]. HeH [?, ?, ?, ?, ?]. HeI [?]. Heiberger [?]. Heidelberg [?, ?, ?, ?]. Heidrich [?]. Heights [?]. Heisenberg [?, ?, ?, ?, ?, ?, ?]. held [?, ?, ?]. Helical [?, ?, ?]. Helices [?, ?, ?, ?]. Helium [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Helium-like [?]. Heliumlike [?, ?, ?, ?, ?]. helix [?]. Hellmann [?, ?, ?]. Help [?, ?, ?, ?]. heme [?, ?]. heme-protein-derived [?]. Hemeproteins [?]. Hemimercaptal [?]. Hemocyanin [?]. Hemoglobin [?, ?]. Hendrik [?]. heptane [?, ?]. heptane-2.1 [?]. Heritage [?]. Hessian [?, ?]. heteroanalogs [?]. heteroaromatic [?]. heteroatom [?]. Heterocumulenes [?]. Heterocycle [?]. Heterocycles [?]. heterocyclic [?]. heterofullerene [?]. Heterogeneous [?, ?, ?, ?]. Heteronuclear [?, ?]. Heterosiliranes [?]. Heterosubstituted [?]. heuristic [?]. Hexagonal [?, ?, ?]. Hexamers [?]. hexanuclear [?]. Hexatriene [?, ?]. hexyl [?]. HF [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hg [?]. HgC [?]. HgO [?]. HH [?]. HH-GLF [?]. HI [?, ?]. Hierarchical [?, ?]. Hierarchies [?]. Hierarchy [?]. High [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. High- [?]. High-Energy [?, ?, ?]. High-Frequency [?, ?]. High-Level [?, ?, ?, ?, ?]. High-Order [?, ?, ?, ?]. High-resolution [?, ?]. High-Spin [?, ?, ?, ?]. High-Symmetry [?]. High-T [?, ?, ?, ?, ?]. High-Temperature [?]. High-Valent [?]. Higher [?, ?, ?]. Highly [?, ?, ?, ?, ?, ?, ?, ?]. Hill [?, ?]. Hinchliffe [?]. Hindered [?, ?, ?]. Hindrance [?]. Histamine [?, ?]. histogram [?]. Historical [?]. HIV [?, ?, ?]. HIV-1 [?, ?, ?]. HLA [?]. HMO [?]. HNBH [?]. HNNH [?]. HOCO [?]. Hoffmann [?]. Hole [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. hole-mixing [?]. Holes [?, ?]. Holland [?]. Homeomorphism [?]. homogeneous [?]. Homologs [?]. Homology [?]. Homonuclear [?, ?, ?, ?]. honor [?]. Honvood [?]. HOOH [?]. Hooke [?, ?]. Hopping [?, ?, ?]. hormone [?]. HSAB [?]. HT [?]. Hubbard [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hückel [?, ?, ?, ?, ?, ?]. Hückel-based [?]. Human [?, ?, ?]. Hund [?, ?]. Husimi [?, ?]. HXC [?]. HY [?]. Hybrid [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hybridization [?, ?, ?, ?, ?, ?, ?, ?]. Hybrids [?, ?, ?]. Hydrated [?, ?, ?, ?, ?]. Hydration [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. hydrazine [?]. Hydride [?, ?, ?, ?, ?, ?]. Hydride-Transfer [?]. Hydrides [?, ?, ?, ?, ?, ?, ?]. hydrido [?]. Hydrocarbon [?, ?, ?, ?, ?, ?, ?, ?]. Hydrocarbons [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. hydrochloric [?]. Hydrodynamics [?]. Hydrogen [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. hydrogen-bond [?]. Hydrogen-Bonded [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hydrogen-Bonding [?, ?, ?, ?]. Hydrogen-like [?]. Hydrogen-Substituted [?]. Hydrogen-Transfer [?]. Hydrogen-Type [?]. hydrogenase [?]. hydrogenases [?]. Hydrogenated [?, ?, ?]. Hydrogenation [?, ?]. Hydrogenlike [?, ?]. hydrogens [?]. Hydrolases [?]. Hydrolysis [?, ?, ?, ?, ?, ?]. Hydrolytic [?]. Hydrophobic [?, ?, ?, ?]. Hydroxides [?]. Hydroxo [?]. Hydroxo- [?]. Hydroxy [?]. hydroxyketones [?]. Hydroxyl [?]. hydroxylamine [?]. hydroxylation [?]. hydroxylations [?]. hydroxypentanoic [?]. Hydroxypropanal [?]. Hydroxypropionic [?]. Hydroxypyridine [?]. Hydroxytetronic [?]. Hydroxyurea [?]. Hylleraas [?, ?, ?, ?, ?, ?, ?, ?]. Hylleraas-CI [?, ?, ?]. Hyper [?]. Hyperboloidal [?]. Hypercoordinate [?]. Hyperfine [?, ?, ?, ?, ?]. Hypermodified [?, ?, ?]. Hyperpolarizabilities [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hyperpolarizability [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. hyperradius [?]. Hyperspherical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Hypersurface [?, ?, ?]. hypersurfaces [?]. hypervalence [?]. Hypervalent [?, ?]. hypervelocity [?]. Hypervirial [?]. hypothesis [?]. HZSM [?].

Iachello [?]. IBM [?]. Ice [?, ?]. Icons [?, ?]. Icosahedral [?, ?]. Idazoxan [?]. Idea [?]. Ideal [?, ?, ?]. idempotency [?]. Identical [?]. identify [?, ?]. Identifying [?]. Ih [?]. II [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. II-VI [?]. III [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. III-V [?]. Ill [?]. Ill-conditioned [?]. Illustration [?]. Image [?]. images [?]. Imaginary [?, ?, ?]. Imaging [?, ?, ?]. imidazole [?]. Imidazolidines [?]. imine [?]. Iminium [?]. Imino [?]. immobilized [?]. IMOMM [?]. Impact [?, ?, ?]. impacts [?]. Impenetrable [?, ?]. implantation [?]. Implementation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Implications [?, ?, ?, ?, ?, ?, ?]. Implicit [?, ?]. Imply [?, ?]. Importance [?, ?, ?, ?]. Important [?, ?]. Improved [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Improvement [?, ?]. Improving [?, ?, ?]. impulses [?]. Impurities [?, ?]. Impurity [?, ?, ?]. in-plane [?]. Incidence [?]. Include [?, ?]. Including [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Inclusion [?, ?, ?, ?, ?, ?]. Incomplete [?, ?]. Incorporating [?]. Increase [?]. Increased [?]. Increased-Valence [?]. Indacene [?]. Indefinite [?]. independence [?]. Independent [?, ?, ?, ?, ?, ?]. Index [?, ?, ?, ?, ?, ?]. Indexes [?]. Indexing [?]. indicators [?]. Indices [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Indigoid [?]. Indirect [?, ?, ?]. INDO [?, ?, ?, ?, ?, ?, ?, ?, ?]. INDO/S [?, ?]. indol [?]. indol-3-ylacetic [?]. Indole [?, ?, ?, ?]. indole-3-acetic [?]. Indoles [?]. Induced [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Induction [?]. industrial [?]. Inelastic [?, ?]. inequalities [?, ?]. inequality [?]. Infinite [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. infinitely [?]. inflammatory [?]. Influence [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Information [?, ?, ?, ?, ?, ?, ?]. Infrared [?, ?, ?, ?, ?, ?, ?]. Inhibition [?, ?]. Inhibitor [?, ?, ?]. Inhibitors [?, ?, ?]. inhibitory [?]. Inhomogeneous [?, ?, ?]. initial [?, ?]. Initiation [?]. Initio [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Initio [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. initio [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. innate [?]. Inner [?, ?, ?, ?, ?, ?]. Inner-Sphere [?, ?, ?, ?]. Inorganic [?, ?, ?]. Insecticide [?, ?]. insertion [?, ?, ?]. insight [?, ?]. insights [?, ?, ?]. inspired [?]. Instability [?, ?, ?, ?, ?, ?, ?, ?]. Institute [?, ?]. Instructions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. insulating [?]. Insulator [?, ?, ?, ?, ?]. Integer [?]. Integral [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Integral-Geometrical [?]. Integrals [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Integrand [?, ?]. Integrated [?, ?, ?, ?, ?, ?, ?, ?]. Integration [?, ?, ?, ?, ?]. integrations [?]. Intelligent [?, ?]. Intense [?, ?, ?, ?, ?, ?, ?, ?, ?]. intensities [?, ?, ?, ?]. Intensity [?, ?, ?, ?, ?, ?]. Inter [?]. Inter- [?]. Interacting [?, ?, ?, ?, ?, ?, ?, ?]. Interaction [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Interactions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. interactive [?]. Interatomic [?]. Interband [?]. Interbasis [?, ?]. Interbond [?]. Intercalated [?, ?, ?]. intercalates [?]. intercalators [?]. interchain [?]. interchange [?]. Interconversion [?]. Interconversions [?, ?, ?]. intercorrelation [?]. interdisciplinary [?]. Interelectronic [?, ?, ?]. Interface [?, ?, ?]. interfaces [?]. interference [?, ?]. Interim [?]. Interionic [?]. interlayer [?]. Intermediate [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Intermediates [?, ?, ?, ?]. intermetallic [?]. Intermolecular [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Internal [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. internally [?]. International [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Interpair [?]. Interpolant [?, ?]. Interpolation [?, ?]. Interpretation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Interpretations [?]. Interreactant [?]. Intersecting [?, ?]. intershell [?]. Interstellar [?, ?]. Interstitial [?, ?]. Intersystem [?]. Intra [?]. Intra- [?]. Intracules [?]. Intramolecular [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. intrasupermolecular [?]. Intrinsic [?, ?, ?, ?]. intrinsically [?]. Introduction [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Introductory [?, ?]. Invariance [?, ?, ?, ?]. invariant [?, ?]. Invariants [?]. Inverse [?, ?, ?]. Inversion [?, ?, ?, ?]. Inversion-Bending [?]. inverted [?]. Investigated [?, ?, ?]. Investigating [?]. Investigation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Investigations [?, ?, ?, ?]. Involved [?]. Involving [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Iodides [?]. Iodine [?, ?, ?]. Iodine-doped [?]. Ion [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ion-atom [?]. Ion-Helium [?]. Ion-Molecule [?]. Ionic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ionization [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ionization/Dissociation [?]. Ionized [?, ?, ?, ?, ?, ?]. ionizing [?, ?]. ionone [?]. Ions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. IPGG [?]. Ir [?, ?, ?, ?, ?, ?, ?, ?]. Ira [?]. IRC [?]. Iridium [?]. Iron [?, ?, ?, ?, ?, ?]. Iron-Porphyrin [?, ?]. Irreducible [?, ?, ?, ?, ?]. Irreversibility [?, ?, ?, ?, ?]. Irreversible [?]. ISBN [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ising [?, ?]. Iso [?]. Iso-Energy [?]. isobutylbenzene [?]. isochromenes [?]. isocitrate [?]. isocyanates [?]. Isocytosine [?, ?, ?]. Isocytosine-Cytosine [?]. Isoelectronic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Isomer [?, ?, ?, ?, ?]. isomerase [?]. Isomeric [?]. isomerism [?]. Isomerization [?, ?, ?, ?, ?, ?, ?]. Isomers [?, ?, ?, ?, ?, ?, ?, ?]. Isopropylamine [?]. Isopycnic [?]. Isospectral [?]. Isotherms [?]. Isothiazolones [?]. Isotope [?, ?, ?]. isotopic [?, ?, ?, ?]. Isotopomers [?, ?, ?]. Isotropic [?, ?, ?, ?]. ISQBP [?]. Israel [?]. Issue [?]. Issues [?]. Iteration [?, ?, ?, ?]. Iteration-Variation [?]. Iterative [?, ?]. IUPAC [?]. IV [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. IVA [?]. IVA-Group [?]. IVB [?]. ix [?, ?].

J [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. J. [?, ?]. Jahn [?, ?, ?, ?, ?, ?]. Janos [?]. Java [?]. Java-Based [?]. Jean [?, ?]. Jean-Louis [?, ?]. Jellium [?, ?, ?, ?, ?, ?]. Jersey [?]. Jerusalem [?, ?]. John [?, ?, ?, ?]. Johnson [?, ?]. joint [?, ?]. Jortner [?]. Joseph [?]. Journal [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Jr [?]. Jr. [?]. July [?]. jumps [?]. junction [?]. June [?, ?, ?, ?, ?]. Justification [?, ?, ?]. Justin [?].

K-region [?]. Kajzar [?]. Kaku [?]. KALA [?]. kapton [?, ?]. Kármán [?]. Karo [?]. Kasha [?, ?]. Kato [?, ?]. kbar [?]. KCl [?]. Keeping [?]. Keggin [?]. Kekulé [?, ?]. Kemer [?]. Kepler [?, ?, ?, ?]. Kernel [?, ?, ?]. Ketene [?, ?, ?, ?]. ketoenolyl [?]. Ketoesters [?]. Ketone [?]. ketones [?]. Key [?, ?]. kinds [?, ?]. Kinematic [?]. Kinetic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Kinetic- [?, ?]. kinetic-energy [?, ?, ?, ?]. Kinetics [?, ?, ?, ?]. KKR [?]. KLI [?]. Kluge [?]. Kluwer [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. knots [?]. Kohn [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Koopmans [?, ?, ?]. Korringa [?]. Kotani [?]. Kr [?, ?]. Kramers [?, ?, ?, ?]. Kramers-restricted [?]. Kratzer [?, ?]. KRb [?]. Kroll [?]. Kryachko [?]. krypton [?, ?]. Kynurenic [?].

L [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. L-KALA [?]. L-Proline [?]. Labarthe [?]. Labeled [?]. Lability [?]. LaC [?]. Lack [?]. LACO [?]. Ladder [?, ?, ?, ?]. LADH [?]. Ladik [?]. lag [?]. Lagrange [?, ?, ?]. Lagrangian [?]. Lagrangians [?]. Laguerre [?, ?, ?, ?]. Lamb [?]. lamella [?]. Lanczos [?, ?]. Landau [?]. Landscapes [?, ?]. Langevin [?]. Langhoff [?]. Language [?, ?]. Lanthanide [?, ?, ?, ?, ?, ?]. LaO [?]. LAP [?]. Laplace [?]. Laplacian [?]. LAPW [?]. Large [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Large- [?, ?, ?]. Large-Dimension [?]. Large-Scale [?, ?, ?]. larger [?, ?]. Laser [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Laser-Assisted [?, ?]. Laser-Driven [?]. Laser-induced [?, ?]. Late [?]. Lattice [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Lattices [?, ?, ?]. Law [?]. layer [?, ?]. layered [?]. Layers [?, ?, ?]. LCAO [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. LCAO-DFT-LDA [?]. LCAO-LSD [?]. LCGTO [?, ?, ?, ?, ?, ?, ?]. LCGTO-DF [?]. LDA [?, ?, ?, ?, ?]. LDF [?]. LDF-Based [?]. Lead [?, ?, ?]. Lead-Alkali [?]. Leaky [?, ?]. learning [?]. Least [?, ?, ?]. Least-Motion [?]. least-squares [?]. Lee [?, ?]. Left [?]. Left-Handed [?]. Legendre [?, ?]. Length [?, ?, ?, ?, ?, ?, ?]. Lengths [?, ?, ?]. less [?]. Leu [?, ?]. leucine [?]. leucinostatin [?]. Leupeptin [?]. Level [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Levels [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Levin [?]. Levine [?, ?]. Li [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. LiAr [?]. LiB [?]. LiBeH [?, ?]. Library [?]. librational [?]. lidocaine [?]. Lie [?, ?, ?, ?]. Lieb [?]. LiF [?, ?]. Life [?, ?]. lifetime [?, ?]. Lifetimes [?, ?, ?]. LiFH [?]. Ligand [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. ligand-activation [?]. Ligand-Protein [?, ?]. Ligand-Triggered [?]. Ligands [?, ?, ?, ?, ?, ?]. ligated [?]. Light [?, ?, ?, ?, ?, ?, ?, ?]. LiH [?, ?, ?, ?, ?]. like [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Limit [?, ?, ?, ?, ?, ?, ?, ?, ?]. Limited [?, ?, ?, ?, ?]. Limits [?, ?, ?, ?]. LiN [?, ?]. Lincoln [?]. Line [?, ?, ?, ?]. line-shapes [?]. Line-Then-Plane [?]. Linear [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. linearization [?]. Linearly [?, ?]. Liner [?]. Lines [?]. Lineshape [?]. Link [?]. Linkage [?]. Linked [?, ?, ?]. Linking [?]. links [?]. Lionel [?, ?, ?, ?, ?, ?]. Liouville [?, ?]. Liouvillean [?]. Lipid [?, ?, ?]. Lipids [?]. lipoxygenase [?]. Lippert [?]. Lippmann [?, ?, ?]. Lipscomb [?, ?]. Liquid [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Liquids [?, ?, ?]. List [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Lithiated [?, ?]. Lithium [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Lithium-Cation [?]. Liver [?]. LiX [?]. LM [?]. LM-Conjugated [?]. LMO [?]. LMSS [?]. LMTO [?, ?, ?]. LMTO-ASA [?]. Ln [?, ?]. Ln=Pr [?]. LnBa [?]. Local [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. local-density [?, ?, ?]. Local-Exchange [?]. Local-Scaling [?, ?, ?, ?, ?, ?, ?, ?]. local-spin-density [?]. Locality [?, ?]. Localization [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Localization-Consistent [?]. Localized [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. locally [?, ?, ?]. Locate [?]. Located [?]. locations [?]. logarithm [?]. logarithmic [?]. Logic [?]. Logical [?]. London [?, ?, ?, ?]. Lone [?, ?]. Long [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Long- [?]. Long-Range [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Longitudinal [?, ?]. Look [?, ?]. Looking [?]. loop [?]. loop-to-edge [?]. LORG [?]. Louis [?, ?]. Low [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Low-Dimensional [?, ?]. Low-energy [?, ?, ?]. Low-Gap [?]. Low-Lying [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. low-molecular-weight [?]. Low-Order [?, ?]. low-Rydberg [?]. Low-Spin [?, ?]. Low-Temperature [?]. Low-Wave-Number [?]. Löwdin [?, ?]. Lower [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Lower-Bound [?, ?]. Lower-Lying [?]. Lowest [?, ?, ?, ?, ?, ?, ?, ?, ?]. Lr [?]. LSD [?, ?, ?, ?, ?, ?]. LSD-CGA [?]. Ltd [?, ?]. LTP [?]. Lu [?]. Lucas [?]. Ludeña [?]. Lund [?]. Lyapunov [?]. Lying [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

M [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. M. [?]. machine [?]. machinery [?]. Macintosh [?]. Macomber [?]. macrocyclic [?]. Macromolecular [?, ?]. macromolecules [?]. Macroscopic [?, ?, ?, ?]. made [?, ?]. MAF [?]. Magnesium [?]. Magnet [?]. Magnetic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Magnetism [?, ?, ?, ?]. magnetoresistance [?]. Magnets [?, ?, ?]. Main [?, ?]. Main-Row [?]. major [?]. Making [?]. Maksić [?]. malarial [?]. maleic [?]. malonaldehyde [?]. Malononitrile [?]. malononitriles [?]. Manifestations [?]. manifold [?, ?, ?, ?]. Manipulation [?, ?]. Mann [?]. Mannich [?, ?]. Manuscript [?, ?, ?]. Many [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Many-Body [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Many-Center [?, ?]. Many-dimensional [?]. Many-Electron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Many-electron-wavepackets [?]. Many-Fermion [?, ?]. many-particle [?]. Many-Photon [?]. MAPLE [?, ?, ?, ?]. Mapping [?, ?, ?, ?, ?]. Maps [?, ?]. Masao [?]. Mass [?, ?, ?]. massively [?]. Masten [?]. Master [?]. Masthead [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

Masthead [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Materials [?, ?, ?, ?, ?, ?]. Mathematical [?, ?, ?, ?]. Matrices [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Matrix [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Matter [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Maxima [?]. Maximum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Maximum-Entropy [?, ?]. May [?, ?, ?, ?, ?]. MBOHO [?]. MBPT [?, ?, ?]. MC [?]. McClelland [?]. McGraw [?]. McGraw-Hill [?]. MCH [?]. MCl [?]. MCLR [?, ?]. MCM [?]. McMurchie [?]. MCO [?, ?]. MCP [?]. MCSCF [?, ?, ?, ?, ?, ?]. MCSCF/MCLR [?]. McWeeny [?]. MD [?, ?]. MDGI [?]. Me [?, ?, ?]. Mean [?, ?, ?]. Mean-Field [?]. meaningful [?]. Means [?, ?, ?, ?, ?, ?, ?, ?, ?]. Measure [?, ?, ?, ?]. measured [?]. measurement [?, ?]. Measures [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Measuring [?]. Mechanical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. mechanically [?]. Mechanics [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Mechanism [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Mechanisms [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. mechanistic [?]. mechlorethamine [?]. Media [?, ?, ?, ?, ?]. Mediated [?, ?, ?, ?, ?, ?]. mediators [?]. Medium [?, ?, ?, ?, ?]. Meeting [?, ?, ?]. MEH [?, ?, ?, ?]. Melbourne [?]. melittin [?]. Melts [?]. Membered [?, ?, ?]. Membrane [?, ?, ?]. membrane-bound [?]. membranes [?]. Memorial [?]. memoriam [?, ?]. Memories [?]. Memory [?, ?, ?]. Menton [?]. merocyanine [?]. MEs [?, ?]. Meso [?]. Meso- [?]. Messier [?]. Met-Enkephalin [?, ?, ?]. met-enkephalin-like [?]. meta [?]. meta-GGAs [?]. metabolique [?]. metabolism [?]. metabolites [?, ?]. Metal [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. metal-CO [?]. Metal-Insulator [?, ?, ?]. Metal-Ligand [?, ?, ?]. Metal-Metal [?]. Metal-Nitrosyl [?]. Metallacyclobutadienes [?]. Metallic [?, ?, ?, ?, ?, ?, ?, ?, ?]. Metallocenes [?]. metalloenzyme [?]. metalloproteins [?]. Metals [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Metastable [?, ?, ?, ?]. Metathesis [?]. Methacrylic [?]. Methane [?, ?, ?, ?, ?, ?, ?]. Methanediol [?]. methanes [?]. Methanetetraol [?]. Methanetriol [?]. Method [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. method [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. methodological [?]. Methodology [?, ?]. Methods [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Methoxy [?]. Methoxyidazoxan [?]. Methyl [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Methyl-Ethyl- [?]. Methylacetamide [?]. Methylamine [?]. Methylated [?, ?]. Methylation [?]. methylcopper [?]. Methylene [?]. Methyleneimminium [?]. methylenimine [?]. Methylformamide [?]. Methylglyoxal [?]. Methylpyridones [?]. methylthio [?]. Metiamide [?]. Metric [?, ?]. meV [?]. MFI [?]. Mg [?, ?, ?, ?, ?, ?, ?]. MgAl [?]. MgC [?, ?]. MgF [?]. MgI [?]. MgO [?, ?, ?, ?, ?]. MH [?, ?]. micelle [?]. Micelles [?]. Micha [?]. Michael [?, ?, ?, ?, ?]. Michio [?]. microclusters [?]. microdynamics [?]. microflows [?]. microscope [?]. Microscopic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. microscopy [?, ?, ?]. Midgap [?, ?]. Midpoint [?]. midrange [?]. Mills [?]. Mimics [?]. mind [?, ?]. minima [?]. minimal [?]. Minimization [?, ?, ?, ?, ?, ?, ?]. Minimum [?, ?, ?, ?]. Minimum-Energy [?, ?]. Miniplasmids [?]. Mirror [?]. Mismatched [?]. Mivazerol [?]. Mixed [?, ?, ?, ?, ?]. Mixed-Ligand [?]. Mixing [?, ?, ?, ?, ?, ?]. Mixtures [?]. ML [?, ?]. MM [?, ?, ?]. MMVB [?]. Mn [?, ?, ?]. Mn-related [?]. MnC [?]. MNDO [?, ?, ?, ?, ?, ?, ?, ?]. MO [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. mobile [?, ?]. Möbius [?, ?, ?, ?]. Möbius-type [?]. Mode [?, ?, ?, ?, ?, ?, ?, ?]. Model [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. model [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Model-Systems [?]. modeled [?, ?]. Modeling [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Modelization [?]. Modelling [?, ?, ?]. Models [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. moderately [?]. Modern [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Modes [?, ?, ?, ?, ?, ?, ?, ?, ?]. Modification [?, ?, ?, ?, ?, ?, ?]. Modifications [?, ?]. Modified [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. modified-Hartree [?]. Modifying [?, ?]. modulated [?]. MoF [?]. Molecular [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Molecular [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. molecular [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. molecular [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. molecular-electronics [?]. molecular-orbital [?]. molecular-state [?, ?]. Molecule [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Molecule-Surface [?]. Molecules [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. molecules [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Molin [?]. Møller [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Molten [?]. Molybdenum [?, ?, ?]. Moment [?, ?, ?, ?, ?, ?, ?, ?, ?]. Moment-method [?]. Momenta [?, ?]. Moments [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Momentum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Momentum-Space [?, ?, ?]. monitoring [?]. Monkhorst [?]. Mono [?, ?, ?, ?]. Mono- [?, ?, ?, ?]. monobridged [?]. Monocarbides [?]. monocation [?]. Monoconfigurational [?]. Monographs [?]. Monohydrated [?]. Monohydration [?]. monolayer [?]. monolayers [?, ?, ?]. Monomers [?, ?]. mononucleotide [?, ?, ?]. mononucleotides [?]. monoprotonated [?]. Monosubstituted [?]. Monotonicity [?]. Monoxide [?]. Monte [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. MoO [?, ?, ?]. Morse [?, ?, ?, ?, ?, ?, ?, ?, ?]. Mössbauer [?]. Motion [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Motions [?, ?]. Mott [?]. Mott-insulating [?]. Moving [?, ?]. MP [?]. MP2 [?, ?, ?, ?]. MP6 [?]. MRCI [?]. MRD [?, ?, ?, ?, ?, ?]. MRD-CI [?]. MRSDCI [?]. MS [?, ?, ?]. MS-X [?]. MSH [?]. MT [?]. Mu [?]. muffin [?]. muffin-tin [?]. Mukherjee [?, ?]. Mulliken [?]. Multi [?, ?]. Multi-Configuration [?]. multi-reference [?]. Multicavity [?]. Multicenter [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Multicolor [?]. Multiconfiguration [?, ?, ?, ?, ?, ?]. Multiconfigurational [?, ?, ?, ?, ?, ?, ?, ?, ?]. Multidimensional [?, ?]. multielectron [?]. Multifractal [?]. Multigrid [?, ?, ?]. multilevel [?, ?, ?]. multilocal [?]. Multiminima [?, ?]. Multiparticle [?]. multipartitioning [?]. Multiphoton [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Multiple [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. multiple-minima [?]. Multiple-Reference [?, ?]. multiple-transition-point [?]. multiplet [?].

Multiplets [?, ?]. Multiplication [?, ?]. multiplicities [?]. multiplicity [?]. multiply [?]. Multipolar [?, ?]. Multipole [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Multipoles [?]. Multiquantum [?]. Multireference [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. multishell [?, ?, ?]. muon [?]. Mushrooms [?]. mustard [?, ?]. Musulin [?]. mutagenic [?]. mutation [?]. mutations [?]. Mutual [?]. Mutually [?, ?, ?]. MVO [?]. My [?, ?]. Myb [?]. mylar [?]. Myoglobin [?, ?]. mystery [?, ?].

N [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. N- [?]. N-Acetyl-2 [?]. N-band [?]. N-Sulfinylanilines [?]. N-threonylcarbonyl [?]. Na/W [?]. NaBr [?]. NaCl [?, ?]. NADP [?]. NaK [?]. naked [?]. NaN [?]. nanometer [?]. Nanoparticles [?]. Nanotubes [?]. naphthalene [?]. naphthalenophane [?]. naphthalenophane-1 [?]. Narrow [?]. Narrow-Band [?]. National [?]. native [?]. NATO [?, ?, ?, ?, ?, ?]. Natta [?, ?]. Natural [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Nature [?, ?, ?, ?, ?, ?, ?, ?, ?]. NB [?, ?]. NbIr [?]. NBMO [?]. Nd [?, ?, ?]. NDDO [?, ?, ?, ?, ?, ?, ?]. NDDO-based [?]. NDDO-type [?]. Ne-Isoelectronic [?]. Near [?, ?, ?, ?, ?, ?, ?, ?]. Near-equilibrium [?]. Near-Hartree [?]. Near-Infrared [?]. Near-Sighted [?]. nearly [?]. need [?]. Negative [?, ?, ?, ?]. Negative-Energy [?]. Negatively [?, ?, ?]. Neglect [?, ?, ?, ?, ?, ?, ?, ?, ?]. NEH [?, ?]. Neighboring [?, ?]. Neocarzinostatin [?]. Neon [?, ?, ?]. Nesbet [?]. Nesting [?, ?]. Net [?, ?, ?]. netropsin [?]. Network [?, ?, ?, ?, ?, ?, ?, ?]. Networks [?]. Neumann [?]. Neural [?, ?, ?]. Neuroleptic [?]. Neuromolecular [?]. Neutral [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Neutron [?]. Newman [?]. Newton [?]. NEXAFS [?]. NF [?]. NH [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. NHDP [?]. NHNH [?]. NHO [?]. Ni [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ni-Al [?]. Nickel [?, ?, ?, ?, ?, ?, ?]. nickel-iron [?]. NiCO [?]. nicotinamides [?]. nicotinic [?]. NiFe [?]. NiFeSe [?]. NiMo [?]. nine [?]. nine-membered [?]. Ninth [?]. NITM [?]. Nitrate [?, ?, ?, ?, ?]. Nitric [?]. Nitride [?, ?, ?, ?, ?]. Nitro [?, ?, ?, ?]. Nitro-Substituted [?, ?]. nitroaniline [?]. nitrocubanes [?]. Nitrogen [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Nitrogen-Containing [?]. Nitrogenase [?]. Nitroimidazoles [?]. Nitromethane [?, ?]. Nitronyl [?]. Nitrophenylcyanate [?]. Nitrophenylthiocyanate [?]. Nitrosyl [?]. Nitroxide [?, ?]. Nixon [?]. NJ [?]. NMDA [?]. NMR [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. NN [?]. NNO [?, ?]. NO [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. no-pair [?]. Noble [?, ?]. Nodal [?]. NOESY [?]. Non [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Non- [?, ?]. non-adiabatic [?]. Non-Bloch [?]. Non-Born [?, ?]. non-Hartree [?]. Non-local [?, ?]. Non-radiative [?]. Nonadditive [?]. Nonadiabatic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Nonadiabaticity [?]. nonapeptide [?]. Noncanonical [?, ?]. Noncommutative [?].

Nonconventional [?]. noncorrosive [?]. noncovalent [?]. nondegenerate [?]. nondisjoint [?]. Nonempirical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Nonequilibrium [?, ?, ?, ?]. Noninteger [?]. Nonintegrable [?]. Noninteracting [?, ?]. Noniterative [?]. Nonlinear [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. nonlinearities [?]. nonliner [?]. Nonlocal [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. nonlocality [?]. Nonmetallic [?]. Nonorthogonal [?, ?, ?, ?, ?]. Nonorthogonality [?]. nonparabolicity [?]. Nonperfect [?]. Nonperiodic [?]. nonplanarity [?]. nonproduct [?]. nonradiative [?, ?]. Nonrelativistic [?, ?, ?, ?, ?, ?, ?]. Nonresonant [?]. Nonrigid [?, ?, ?]. nonrigidity [?]. Nonseparable [?]. Nonsingular [?]. nonspherical [?]. Nonstandard [?, ?]. Nonstationary [?]. nonsteroidal [?]. nonuniform [?, ?, ?]. Nonunitary [?]. nonvariational [?, ?]. nonzero [?]. norbornenone [?]. Normal [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Normal-Mode [?, ?]. Normalized [?, ?]. Norman [?]. North [?]. Note [?, ?, ?, ?, ?, ?, ?]. notes [?]. Nova [?]. Novel [?, ?, ?, ?]. novo [?]. NR [?]. NSF [?, ?]. Nuclear [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. nuclei [?, ?]. nuclei-centered [?]. Nucleic [?, ?, ?, ?, ?, ?, ?, ?, ?]. Nucleophiles [?]. Nucleophilic [?, ?]. nucleotide [?, ?]. nucleotides [?]. nucleus [?, ?, ?]. Number [?, ?, ?]. Numbers [?, ?, ?, ?, ?]. Numerical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Numerov [?]. Numerov-Type [?]. Nunn [?, ?]. NWChem [?]. NY [?].

O [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. O-Acylation [?]. O-ethyl [?]. O/ [?]. object [?]. objects [?, ?]. Observable [?]. Obstacle [?]. Obtain [?]. Obtained [?, ?, ?, ?]. Obtaining [?]. OC [?]. occasion [?]. Occupancies [?]. occupation [?]. Occupied [?]. occur [?]. occurrence [?]. Occurring [?, ?]. Occurs [?]. OCl [?]. Octabisvalene [?]. Octahedral [?, ?, ?, ?, ?]. Octakis [?]. Octamers [?]. octatetraene [?]. Octupole [?, ?, ?]. odorant [?]. Off [?, ?, ?, ?]. off-center [?, ?]. Off-Diagonal [?, ?]. Ögretir [?]. OH [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Öhrn [?]. Olefins [?, ?]. oligomer [?]. oligomeric [?, ?]. Oligomers [?, ?, ?, ?, ?]. oligopeptidase [?]. Oligopyrroles [?]. OM [?]. OMe [?]. On-Top [?]. oncogene [?]. Oncoprotein [?]. One [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. One- [?, ?, ?, ?]. One-Band [?, ?]. One-Center [?, ?, ?, ?]. one-component [?]. One-Dimensional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. One-Electron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. One-Matrix [?]. one-particle [?, ?]. One-Range [?, ?]. One-Step [?, ?]. Ones [?]. onions [?]. only [?, ?].

ONOO [?]. ONOOH [?]. Onset [?]. Open [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Open-Chain [?, ?]. Open-Shell [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Opened [?]. Opening [?, ?, ?]. Operator [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Operators [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Opiatelike [?]. opioid [?, ?]. OPP [?]. Oppenheimer [?, ?, ?, ?, ?, ?, ?]. Opportunities [?, ?]. Optical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. optics [?, ?]. Optimal [?, ?, ?]. Optimally [?]. Optimization [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Optimizations [?, ?]. optimize [?]. Optimized [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Optimized-Basis-Set [?, ?]. Optimum [?]. Options [?]. optoelectronics [?]. Optogalvanism [?]. Orbit [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Orbital [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. orbital/molecular [?]. Orbitally [?, ?, ?]. Orbitals [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Orbits [?]. Order [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ordered [?]. Ordering [?, ?, ?, ?, ?, ?, ?]. Orders [?, ?]. Ore [?]. Organic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Organization [?, ?]. Organized [?]. Organomagnesium [?]. Organometallic [?, ?, ?, ?, ?, ?, ?, ?]. Organonickel [?]. organophosphorus [?]. orientation [?, ?]. Orientational [?, ?]. Oriented [?, ?]. Origin [?, ?, ?, ?, ?, ?, ?, ?, ?]. Origin-Shift [?]. origins [?, ?]. Orthogonal [?, ?, ?, ?, ?, ?, ?, ?, ?]. orthogonality [?]. Orthogonalization [?]. Orthogonalized [?, ?, ?]. Orthogonally [?]. Orthonormalization [?]. Oscillations [?, ?]. Oscillator [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Oscillators [?, ?, ?, ?, ?, ?, ?]. OsO [?]. Other [?, ?, ?, ?, ?, ?, ?]. Our [?]. Outlines [?]. outlook [?]. Outperform [?]. Overcoming [?]. Overcomplete [?]. Overlap [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Overlapping [?, ?]. overlaps [?]. overtone [?]. Overture [?]. overview [?]. Ovomucoid [?]. oxepins [?]. Oxford [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. oxidase [?]. Oxidation [?, ?, ?, ?, ?]. oxidative [?]. Oxide [?, ?, ?, ?, ?, ?]. Oxides [?, ?, ?, ?, ?, ?, ?]. Oxidized [?]. Oxirane [?]. Oxo [?, ?]. Oxo-amino-Tautomers [?]. Oxo-Hydroxy [?]. Oxohalides [?].

Oxohydride [?]. Oxygen [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ozone [?, ?, ?, ?].

P [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. p-phenylenevinylene [?, ?]. P450 [?, ?, ?]. P450cam [?]. Package [?]. packet [?, ?, ?]. packets [?]. Packing [?]. Padé [?, ?, ?, ?, ?]. Padé-Type [?]. PAF [?, ?]. page [?]. pages [?, ?, ?, ?]. PAH [?]. Pair [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Pair-Density [?]. pair-excitation [?]. Paired [?, ?, ?]. Pairing [?, ?, ?, ?, ?, ?, ?, ?, ?]. Pairon [?]. Pairs [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Paldus [?]. Palladium [?, ?, ?, ?]. Panacea [?]. Papain [?]. Paper [?, ?, ?, ?, ?]. paperback [?]. para} [?, ?]. para}-nitroaniline [?]. Para-quinones [?]. Parabolic [?]. Paraboloidal [?, ?, ?]. paradigms [?]. paradox [?]. Parallel [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Paramagnetic [?, ?, ?]. Parameter [?, ?, ?, ?, ?, ?]. parameterized [?]. Parameters [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Parametric [?, ?, ?, ?, ?]. Parametrization [?, ?, ?]. parametrizations [?]. parametrized [?]. Parentage [?]. Pariser [?]. Párkányi [?]. parnassum [?]. Parr [?, ?, ?, ?, ?, ?, ?]. Parrinello [?]. Part [?, ?, ?]. Partial [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Partially [?, ?, ?]. participants [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Particle [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. particles [?, ?, ?, ?, ?, ?, ?]. Partition [?, ?, ?, ?]. Partitioning [?, ?, ?, ?, ?, ?, ?, ?]. Partitions [?, ?]. Partner [?]. parts [?]. Path [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. path-integral [?]. paths [?, ?, ?, ?, ?, ?]. pathway [?, ?, ?]. Pathways [?, ?, ?, ?, ?]. Pattern [?, ?, ?, ?, ?]. Patterns [?, ?]. Pauli [?, ?, ?, ?]. Pauli-Type [?]. Pauling [?]. Pauncz [?]. PaX [?]. Pb [?, ?]. PBE [?]. PC [?]. PCM [?, ?]. PCO [?]. Pd [?, ?, ?, ?, ?]. PdO [?]. peculiarities [?]. Peel [?, ?]. Peierls [?, ?, ?]. Pentacoordinated [?]. Pentalene [?]. pentamethyl [?]. pentamethyl-cyclopentaldienyl [?]. peptidase [?]. Peptide [?, ?, ?, ?, ?, ?, ?]. Peptides [?, ?, ?]. Percival [?]. Perfluorodimethyl [?]. Performance [?, ?, ?, ?, ?, ?, ?, ?, ?]. Pericyclic [?, ?, ?, ?]. Perimetric [?]. period [?]. Periodic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. periodically [?]. Periodicity [?]. periods [?]. Peripheral [?, ?]. permanent [?, ?]. Permanganate [?]. Permethylated [?]. Permutation [?, ?]. permutations [?]. peroxidase [?]. peroxide [?]. peroxy [?]. Personal [?]. Perspective [?, ?, ?]. Perspectives [?, ?, ?, ?, ?, ?]. Perturbation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. perturbational [?]. Perturbations [?]. Perturbative [?, ?, ?, ?, ?, ?, ?]. Perturbed [?, ?, ?, ?, ?, ?, ?, ?, ?]. PES [?]. PEt [?]. PF [?]. PH [?, ?, ?]. Pharmacophores [?]. Pharmacophoric [?, ?, ?]. Phase [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. phase-fitted [?]. phase-lag [?]. Phase-Shift [?, ?]. Phase-Space [?, ?, ?]. Phases [?, ?, ?, ?, ?, ?]. PhD [?]. Phe [?]. Phenanthrene [?]. Phenol [?, ?, ?]. phenolic [?, ?]. phenols [?, ?, ?, ?]. Phenomena [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. phenomenological [?]. Phenomenon [?, ?, ?, ?, ?]. phenoxypropanolamine [?]. Phenyl [?]. Phenyl- [?]. Phenylene [?, ?]. phenylenevinylene [?, ?]. phenylethynyl [?]. PHGLF [?]. Philadelphia [?]. Phloroglucinol [?]. Phonon [?, ?]. Phonons [?]. Phospha [?]. phosphatase [?]. Phosphate [?, ?]. phosphide [?, ?]. Phosphinidenes [?]. phosphodiester [?]. phospholipid [?]. Phosphorescence [?]. Phosphorus [?, ?, ?]. phosphotriesterase [?]. Photo [?, ?, ?]. Photo-induced [?, ?]. photobiology [?, ?]. photocaged [?]. Photochemical [?, ?, ?]. photochemistry [?, ?]. Photochromic [?]. Photodecarboxylation [?]. Photodesorption [?, ?]. photodetachment [?]. Photodissociation [?, ?, ?, ?, ?, ?]. photoelectrochemical [?]. Photoelectron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Photoemission [?]. Photoenolization [?]. photoexcited [?, ?]. photofragments [?]. Photoionization [?, ?, ?, ?, ?, ?, ?]. photoisomerization [?]. Photon [?, ?, ?, ?]. photonics [?, ?]. photosynthesis [?]. Photosynthetic [?, ?, ?, ?]. phototransfer [?]. Phthalocyanine [?, ?]. phycoerythrocyanin [?]. Phyllosilicates [?]. Physical [?, ?, ?, ?, ?, ?, ?, ?, ?]. physicist [?]. Physicists [?]. Physicochemical [?]. Physics [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Phytochrome [?]. phytohormone [?, ?]. Phytohormones [?, ?]. PI [?, ?]. Pi-electron [?]. Picture [?, ?, ?, ?, ?]. Pike [?]. Pilar [?]. pilocarpic [?]. Pilocarpine [?, ?]. Pilot [?]. Pines [?]. Pinnacle [?]. pinocarveol [?]. piroxicam [?]. pitfalls [?]. pK [?]. place [?]. plan [?]. Planar [?, ?, ?, ?, ?]. Planarization [?]. Plane [?, ?, ?, ?, ?, ?]. plane-wave [?]. Planes [?]. planning [?]. Plants [?]. Plasma [?]. plasmas [?, ?, ?]. plastoquinone [?, ?]. Platelet [?]. Platelet-Activating [?]. Platinum [?, ?, ?, ?, ?, ?, ?]. Platinum-Centered [?]. Playground [?]. pleated [?]. Plenum [?, ?]. Plesset [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. plicies [?]. PM [?]. PM3 [?, ?, ?, ?, ?, ?, ?]. PMO [?]. PNA [?]. Point [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Points [?, ?, ?, ?, ?, ?, ?]. Poisson [?, ?, ?]. Polar [?, ?, ?, ?, ?, ?, ?]. polarity [?]. Polarizabilities [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Polarizability [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Polarizable [?, ?, ?, ?, ?, ?, ?]. Polarization [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Polarization-Induced [?]. Polarized [?, ?, ?, ?, ?]. Policies [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Politzer [?]. Poly [?, ?, ?, ?, ?, ?, ?]. polyacènes [?, ?]. Polyacetylene [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Polyallyl [?]. polyamides [?]. Polyatomic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Polyatomics [?]. polyazamacrocyclic [?]. Polycation [?]. Polycentric [?]. Polycyclic [?, ?, ?, ?, ?, ?]. polycycloalkanes [?]. Polyelectron [?]. Polyene [?, ?, ?, ?, ?]. Polyenes [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Polyethylene [?, ?, ?]. polyethylenes [?]. Polyhedral [?]. polyhexapeptide [?]. Polyiodide [?]. polyisocyanates [?]. Polymer [?, ?, ?, ?, ?, ?, ?]. Polymeric [?, ?, ?, ?, ?, ?, ?]. Polymerization [?, ?, ?]. Polymers [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. polymethine [?, ?]. polymorphism [?]. Polynomial [?, ?, ?, ?, ?, ?, ?, ?]. Polynomials [?, ?, ?, ?, ?, ?, ?]. Polynuclear [?]. polynucleotides [?]. polyolefins [?]. Polyoxometallates [?]. Polyoxymethylene [?]. Polypeptide [?, ?, ?, ?]. Polypeptides [?]. polyphenyls [?]. Polyphosphorus [?]. polypropylene [?]. Polysila [?]. Polysilane [?, ?, ?, ?]. Polysilanes [?]. Polystyrene [?, ?, ?]. Polytetrafluoroethylene [?]. polytetrapeptides [?]. Polythionylphosphazene [?]. Polythionylphosphazenes [?]. polythiophene [?, ?]. Polyynes [?, ?, ?]. Pople [?]. Population [?, ?, ?, ?, ?, ?, ?, ?]. Populational [?]. Populations [?, ?, ?]. porphin [?]. Porphine [?]. Porphyrazine [?]. Porphyrin [?, ?]. Porphyrins [?, ?]. Portable [?]. portion [?]. Poschl [?, ?]. Position [?, ?]. position- [?]. positioned [?]. Positive [?, ?, ?]. Positive- [?]. Positive-feedback-enhanced [?]. Positively [?]. Positivity [?]. Positron [?]. Positron-Molecule [?]. Positronium [?, ?]. Possibilities [?, ?]. Possibility [?, ?, ?]. Possible [?, ?, ?, ?, ?, ?, ?, ?]. Post [?, ?, ?, ?, ?, ?, ?]. Post-Doctoral [?]. Post-Hartree [?, ?, ?, ?, ?, ?]. postulate [?]. Postulates [?]. Potassium [?, ?, ?, ?]. Potential [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. potential [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Potential-Barrier [?]. Potential-Derived [?, ?]. potential-energy [?]. Potentials [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Power [?, ?, ?, ?, ?, ?, ?]. Powerful [?]. Powers [?]. pp [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. PPAR [?]. PPO [?]. PPP [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Practical [?, ?]. practice [?]. Prasad [?]. PRDDO [?, ?, ?]. PRDDO/M [?, ?]. PRDDO/M/FCP [?, ?]. Precision [?, ?]. precrystalline [?]. precursors [?]. Predict [?, ?, ?]. Predicting [?, ?, ?, ?, ?]. Prediction [?, ?, ?, ?, ?, ?, ?, ?, ?]. predictions [?, ?, ?, ?]. Predictive [?, ?]. Predictor [?]. predissociation [?]. Preface [?, ?, ?]. preferences [?]. preferential [?]. preferred [?]. prefixed [?]. Pregnanolones [?]. Preliminary [?, ?, ?, ?, ?, ?, ?, ?, ?]. Prentice [?, ?]. Prentice-Hall [?]. preparatory [?]. Preparing [?, ?, ?]. Presence [?, ?, ?]. Present [?].

Present-Day [?]. Press [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Press/Gordon [?]. Pressure [?, ?]. Pressure-Induced [?]. Price [?]. Primary [?, ?]. Principal [?]. Principle [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Principles [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. prism [?]. Pro [?]. Probabilities [?, ?, ?, ?]. Probability [?]. Probed [?]. Probes [?, ?, ?, ?]. Problem [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Problems [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Procaine [?]. Procedure [?, ?, ?, ?, ?, ?, ?]. Procedures [?, ?]. Proceedings [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Process [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Processes [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Processing [?, ?]. processus [?]. Prodrugs [?, ?]. Produce [?]. Produced [?]. Product [?, ?, ?]. Products [?, ?, ?, ?, ?, ?, ?]. Professor [?, ?, ?]. Profile [?, ?]. Profiles [?, ?, ?, ?, ?, ?, ?]. progestins [?]. Program [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. programming [?]. Progress [?]. project [?, ?]. Projected [?, ?, ?, ?, ?, ?]. Projection [?, ?]. projector [?, ?]. Proline [?, ?]. prolonged [?]. Proof [?, ?, ?, ?]. Propagation [?, ?, ?]. Propagator [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Propanal [?]. Properties [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. properties [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Property [?, ?, ?]. propiolactone [?]. Proposed [?, ?, ?, ?]. Proposition [?]. Propylene [?]. Propyne [?]. Prospects [?, ?]. protactinium [?]. Protease [?, ?]. Proteases [?, ?, ?, ?]. Protein [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Protein-coupled [?]. Protein-Water [?]. Proteins [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Protocol [?]. Proton [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. proton-transfer [?, ?]. Protonated [?, ?, ?, ?]. Protonation [?, ?, ?, ?, ?, ?, ?]. Protonation-Induced [?]. Protonic [?]. protons [?, ?, ?]. Prototropic [?, ?]. Prototypical [?]. prüfer [?]. PS [?, ?, ?]. PS-21 [?]. Pseudo [?, ?, ?]. Pseudo-Linear [?]. Pseudo-Orthogonal [?]. Pseudoaromatic [?]. Pseudoclosed [?]. pseudohalides [?]. Pseudomagnetic [?, ?]. Pseudopotential [?, ?, ?, ?]. pseudopotential-based [?]. Pseudopotentials [?, ?, ?, ?, ?]. Pseudospectral [?]. Pseudospinors [?]. pseudosydnone [?]. Pseudotetrahedral [?]. Psychoactivity [?]. Pt [?, ?, ?, ?]. Pt/Alumina [?]. Pt/Ni [?]. PtAu [?]. PtCl [?]. PtH [?]. PtSn [?]. Pu [?]. Publication [?]. Publications [?, ?, ?, ?, ?]. Published [?, ?, ?]. publisher [?]. Publishers [?, ?, ?, ?, ?, ?, ?]. Publishing [?]. Pull [?, ?, ?].

Pullman [?, ?, ?]. Pulse [?]. Pulsed [?]. Pulses [?, ?]. pumping [?]. Pure [?, ?]. purine [?]. pursuant [?]. Push [?, ?, ?]. Push-Pull [?, ?]. PW [?]. Pyramidal [?]. pyrazole [?, ?]. pyrene [?, ?]. pyridine [?]. pyridinecarboxylic [?]. pyridinium [?]. Pyridone [?, ?]. Pyridyl [?, ?]. Pyridyl-Substituted [?]. Pyridylacetic [?]. pyroelectrics [?]. Pyrolysis [?, ?, ?, ?]. Pyrrole [?, ?].

Q [?, ?, ?, ?]. QCISD [?]. QCISDT [?]. QCT [?]. QDPT [?]. QED [?]. QM [?, ?]. QM/MM [?]. QR [?]. QR-SCMEH-MO [?]. QSAR [?, ?]. Quadratic [?, ?, ?, ?, ?, ?, ?, ?, ?]. Quadrature [?, ?, ?, ?, ?]. Quadratures [?, ?]. quadruple [?, ?]. Quadruply [?]. quadrupolar [?]. Quadrupole [?, ?, ?, ?, ?, ?]. Quality [?, ?, ?]. Quanta [?, ?, ?, ?, ?, ?, ?, ?, ?]. Quantal [?, ?, ?]. Quantenphysik [?]. Quantification [?, ?]. quantiques [?, ?]. Quantitative [?, ?, ?, ?, ?]. Quantities [?, ?, ?]. Quantization [?, ?, ?, ?]. Quantum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Quantum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. quantum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Quantum-Chemical [?, ?, ?, ?, ?]. Quantum-Classical [?, ?, ?]. Quantum-Mechanical [?, ?, ?, ?, ?, ?]. quantum/classical [?]. Quartet [?]. Quartic [?, ?, ?, ?, ?]. Quasi [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Quasi-Degenerate [?, ?, ?, ?, ?, ?, ?]. Quasi-Energies [?]. Quasi-Energy [?]. Quasi-One-Dimensional [?, ?, ?, ?, ?]. Quasi-particle [?, ?]. Quasi-Relativistic [?, ?]. Quasi-Spin [?]. quasi-symmetric [?]. quasidiabatic [?]. Quasienergy [?]. Quasiparticle [?, ?, ?, ?]. Quasiperiodic [?]. Quasispin [?]. quaternary [?]. Quaternionic [?, ?]. quinoid [?]. quinone [?, ?, ?]. quinonenediimine [?]. quinones [?]. Quintet [?, ?].

R [?, ?, ?, ?, ?, ?, ?, ?, ?]. R2R3 [?]. rôle [?]. Rabi [?]. Radial [?, ?, ?, ?, ?]. Radiation [?, ?, ?, ?, ?, ?, ?, ?]. radiationless [?]. radiations [?]. Radiative [?, ?, ?]. Radical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. radically [?]. Radicals [?, ?, ?, ?, ?, ?, ?, ?, ?]. Radius [?, ?]. radon [?]. rainbow [?]. Ralph [?]. Raman [?, ?, ?, ?, ?]. Ramon [?]. Random [?, ?, ?, ?, ?, ?].

Random-Phase [?, ?, ?]. Randomly [?, ?]. Range [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Raphson [?]. Rapid [?, ?, ?, ?, ?]. Rare [?, ?, ?, ?, ?]. Rare-Gas [?, ?]. ras [?]. Rate [?, ?, ?, ?, ?, ?, ?, ?, ?]. Rates [?, ?, ?, ?, ?]. Rational [?, ?, ?, ?]. ratios [?]. Ratner [?]. Ray [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Rayleigh [?, ?, ?, ?]. Rb [?]. Reactant [?]. Reaction [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Reaction-Field [?, ?]. Reactions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Reactive [?, ?, ?, ?]. Reactivities [?]. Reactivity [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Reagent [?]. Reagents [?]. rèagion [?]. Real [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Real-Space [?, ?, ?, ?, ?, ?]. realistic [?]. Reality [?]. realization [?, ?]. Rearrangement [?, ?, ?]. received [?, ?]. recently [?, ?]. Receptor [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. receptor-bioligand [?]. receptor-G [?]. Receptors [?, ?, ?]. Reciprocal [?, ?]. Recognition [?, ?, ?, ?, ?, ?]. Recollections [?]. recombination [?, ?]. Reconciliation [?]. Rectifier [?]. Recurrence [?, ?, ?, ?, ?]. Recursion [?, ?, ?]. Recursive [?]. redistribution [?]. Redox [?, ?, ?]. redox-active [?]. Redshifts [?, ?]. Reduced [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Reduction [?, ?, ?, ?, ?, ?, ?, ?]. redundancy [?]. Reference [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Reflecting [?]. reflections [?]. refractive [?]. Regime [?]. regimes [?]. Region [?, ?, ?, ?, ?, ?]. Regional [?, ?, ?, ?, ?]. Regions [?, ?, ?, ?, ?]. Regular [?, ?, ?, ?]. Reichardt [?]. Reidel [?, ?]. Reinterpretation [?]. Related [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Relating [?]. Relation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Relations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Relationship [?, ?, ?, ?, ?]. Relationships [?, ?, ?, ?, ?, ?]. Relative [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Relativistic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Relativistically [?]. Relativity [?]. Relaxation [?, ?, ?, ?, ?, ?]. Relaxed [?]. relay [?]. release [?]. Relevant [?, ?, ?, ?, ?]. reliability [?]. Reliable [?, ?, ?, ?]. remark [?]. Remarks [?, ?, ?, ?, ?]. Reminiscences [?, ?, ?]. Removal [?, ?]. Renner [?]. Renormalization [?, ?, ?, ?, ?, ?]. Renormalized [?, ?, ?, ?]. Reorganization [?, ?, ?, ?, ?, ?]. Reorientation [?]. Replacements [?]. Report [?, ?]. reports [?]. Representability [?, ?, ?]. Representable [?, ?, ?, ?, ?]. Representation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Representations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Representative [?, ?]. Representing [?, ?, ?, ?, ?]. repressor [?]. reproduce [?, ?]. Repulsion [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. requirement [?]. requirements [?, ?, ?, ?]. Requisites [?]. Research [?, ?, ?, ?, ?, ?]. Resemblance [?, ?]. Reservoir [?]. Residue [?, ?, ?]. Residues [?, ?]. Resistance [?, ?, ?]. Resolution [?, ?, ?, ?, ?, ?, ?, ?]. Resolutions [?]. Resolved [?, ?, ?, ?, ?, ?]. Resonance [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Resonance-Stabilized [?]. Resonances [?, ?, ?, ?, ?, ?, ?, ?, ?]. Resonant [?]. respect [?]. Response [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. restraining [?]. Restricted [?, ?, ?, ?, ?, ?, ?, ?]. Restrictions [?, ?]. Results [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. retards [?, ?]. Retrospective [?]. Returning [?]. revealed [?, ?]. Reversal [?, ?]. Reverse [?, ?]. reversed [?]. Reversible [?, ?, ?]. Review [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. revised [?]. Revision [?]. Revisited [?, ?, ?, ?, ?, ?, ?]. Revisiting [?]. Rh [?, ?, ?, ?, ?]. RHF [?, ?, ?, ?, ?, ?, ?]. rhodium [?]. RI [?]. ribbon [?]. Rich [?]. Ridley [?]. Right [?]. Right- [?]. rigid [?, ?, ?, ?]. rigidified [?]. Rigorous [?, ?, ?, ?, ?, ?]. Rigouous [?]. Ring [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Ring-Opened [?]. ring-opening [?]. Ring-Shaped [?, ?, ?]. Rings [?, ?, ?, ?, ?, ?]. Rn [?, ?, ?]. RNA [?]. RNase [?]. RnXe [?]. RO [?]. Robert [?, ?, ?, ?, ?]. Robust [?]. ROHF [?, ?]. Role [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Roothaan [?, ?, ?, ?, ?]. Rostoker [?]. rotamers [?]. Rotating [?]. Rotation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Rotation-Vibration [?]. Rotational [?, ?, ?, ?, ?, ?, ?, ?]. Rotationally [?, ?, ?]. Rotations [?, ?, ?, ?, ?]. route [?]. Routes [?]. Rouvary [?]. Rouvray [?]. Rovibrational [?, ?, ?]. Rovibronic [?]. Row [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Roy [?]. RP [?]. RPA [?, ?, ?]. RPA-AM1 [?]. Rps [?]. Ru [?]. Ruben [?]. rubredoxins [?]. Rudolf [?]. Rudolph [?, ?]. Rule [?, ?, ?, ?, ?, ?, ?]. Rules [?, ?, ?, ?, ?, ?, ?]. Rumer [?, ?, ?]. RuO [?]. rupturing [?]. Ruthenium [?, ?]. Rutile [?, ?, ?]. Rydberg [?, ?, ?, ?, ?, ?, ?]. Rydberg-like [?]. Rydberg-valence [?]. Rys [?].

S [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. S-2-diisopropylaminoethylmethylphosphonothiolate [?]. S-containing [?]. S-Type [?, ?]. SA [?]. SAC [?]. Sachs [?]. Saddle [?, ?]. Saddle-point [?]. Sahni [?]. salicylaldehyde [?]. Salt [?, ?]. salts [?, ?]. Salvetti [?, ?]. Same [?, ?]. Sample [?]. Sampled [?]. Sampling [?]. Sanibel [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Sarkar [?]. satellite [?]. Satellites [?, ?]. satisfy [?, ?]. Saturated [?, ?, ?, ?]. Sayed [?]. Sb [?]. Scalar [?, ?, ?, ?, ?]. Scalar-relativistic [?]. Scale [?, ?, ?, ?]. Scaled [?, ?, ?]. Scales [?]. Scaling [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

Scaling-Nesting [?]. scanning [?, ?, ?, ?]. scattered [?]. Scattering [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. SCCEH [?]. ScCO [?, ?]. SCF [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. SCF-LCAO [?, ?]. SCF-MO [?]. Schatz [?]. Scheme [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Schemes [?, ?, ?]. Schiff [?, ?]. Schlüter [?]. Schrödinger [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Schwartz [?, ?]. Schwinger [?]. Science [?, ?, ?, ?, ?, ?]. Sciences [?, ?, ?, ?, ?]. Scientific [?, ?, ?]. SCMEH [?, ?]. SCO [?]. SCO/He [?]. SCO/N [?]. Screened [?, ?, ?, ?, ?, ?, ?]. Screened-Coulomb [?]. Screening [?, ?, ?, ?]. SCRF [?, ?]. Se [?, ?, ?]. Search [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Searches [?]. Searching [?, ?]. Second [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. second-derivative [?]. second-harmonic [?]. Second-Neighboring [?]. Second-Order [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Second-Row [?, ?, ?, ?, ?, ?, ?, ?]. Section [?, ?, ?]. Sections [?, ?, ?, ?, ?, ?]. Sectors [?]. Secular [?, ?]. Sediments [?]. see [?]. Selected [?, ?, ?]. Selection [?, ?]. Selective [?, ?, ?, ?, ?]. selectivity [?, ?]. Self [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Self-Adjoint [?]. self-assembly [?]. Self-avoiding [?]. Self-Consistency [?]. Self-Consistent [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Self-Consistent-Field [?, ?, ?, ?, ?, ?]. Self-Dual [?, ?]. Self-Energy [?]. Self-Exchange [?, ?]. Self-expansion [?]. self-interaction [?]. self-organization [?]. Self-Organized [?]. self-reaction [?, ?]. Self-Returning [?]. Self-Similarity [?]. Self-Trapped [?]. Self-Trapping [?]. Semi [?, ?, ?, ?, ?, ?, ?, ?]. Semi-Empirical [?, ?, ?, ?]. Semi-Infinite [?, ?]. Semi-Ionic [?]. Semianalytical [?]. Semiclassical [?, ?, ?, ?, ?, ?]. Semiconducting [?]. Semiconductor [?, ?, ?, ?, ?, ?]. Semiconductor-Insulator [?]. Semiconductor-Metal [?]. semiconductors [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Semidirect [?, ?]. Semiempirical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Semimetals [?]. Seminario [?]. semiquinones [?]. Semisimilarity [?]. Sensitivities [?, ?]. Sensitivity [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Separable [?]. separated [?]. separated-bond [?]. Separation [?, ?, ?, ?, ?, ?]. Separations [?]. September [?]. Septet [?]. Sequence [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Sequence-dependent [?, ?]. Sequences [?, ?, ?, ?, ?]. Sequential [?]. Ser [?]. Ser-48 [?]. Series [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Serine [?, ?, ?, ?]. session [?]. Set [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Sets [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. settings [?]. seven [?]. seven-component [?]. Several [?, ?, ?, ?]. Sextet [?]. SGA [?]. SH [?, ?, ?, ?]. Shake [?, ?, ?, ?]. Shake-Up [?, ?, ?]. Shakeup [?, ?]. Shallow [?, ?]. Sham [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Shannon [?, ?]. Shape [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Shaped [?, ?, ?]. Shapes [?, ?, ?]. Sharing [?]. Shedding [?]. sheets [?]. Shell [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. shell-structure [?]. Shells [?, ?]. Shepard [?]. Shepard-Type [?]. Shevelko [?, ?]. Shielding [?, ?, ?, ?, ?, ?, ?]. Shift [?, ?, ?, ?, ?, ?, ?, ?]. Shifting [?, ?]. Shifts [?, ?, ?, ?, ?, ?, ?, ?, ?]. Shiotani [?]. Shock [?, ?]. shocked [?]. Shopping [?]. Short [?, ?, ?]. Short-Range [?, ?]. SI [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Si- [?]. SIC [?, ?]. Side [?, ?, ?, ?, ?, ?]. Side-Chain [?]. Side-Group [?]. Siegert [?]. Siegmund [?]. SiGeH [?]. Sighted [?]. Sign [?, ?]. signal [?]. Signed [?]. significance [?]. Significant [?]. Signs [?]. SIH [?, ?, ?]. silacarbonyl [?]. silagermylyne [?]. Silatranes [?]. Silica [?]. Silicon [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. silicon-based [?]. Silole [?]. Silver [?]. Silverman [?]. Similar [?]. Similarity [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Simon [?]. Simple [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Simplified [?, ?, ?, ?, ?]. Simulate [?]. Simulated [?, ?, ?, ?, ?]. simulating [?]. Simulation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Simulations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Simultaneous [?]. Simultaneously [?]. Sinanoglu [?]. Sinc [?]. SINDO1 [?]. Single [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Single-active [?]. single-bonded [?]. Single-Center [?]. Single-Cycle [?, ?]. Single-density [?, ?]. single-electron [?, ?]. Single-electron-capture [?]. single-excitation [?]. Single-excitations-adapted [?]. Single-Exponent [?]. Single-Mode [?]. single-particle [?, ?]. Single-photon [?]. Single-Reference [?, ?, ?, ?]. Single-Reference-State [?]. Singles [?, ?, ?]. Singlet [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Singlet-Triplet [?, ?]. Singly [?]. Singular [?]. singularities [?]. Singularity [?, ?]. sinusoidally [?]. SiO [?, ?, ?, ?]. SiOSi [?]. Site [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. site-centered [?]. Sites [?, ?, ?, ?]. Situ [?]. Situations [?]. Sixfold [?]. Sixth [?, ?, ?, ?, ?]. Sixth-order [?, ?, ?, ?, ?]. Size [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. size-effects [?]. size-extensive [?]. Sketch [?, ?]. Slater [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Slater-Type [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Slow [?, ?, ?, ?]. Sm [?, ?, ?, ?, ?]. Small [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Small-angle [?]. small-bipolaron [?]. Smart [?]. SmCp* [?]. Smith [?]. Smoothly [?]. Sn [?, ?, ?, ?, ?]. SnCl [?]. SnH [?]. SnO [?, ?]. Sobolev [?]. Society [?, ?, ?]. Sodalite [?]. Sodium [?, ?, ?, ?, ?, ?, ?, ?]. Soft [?, ?]. Softcover [?]. software [?]. solar [?]. Solid [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Solid-State [?, ?, ?, ?, ?, ?, ?]. Solids [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. solitary [?]. Soliton [?]. solitonlike [?]. Solitons [?, ?, ?]. solubility [?]. Soluble [?]. Solute [?, ?, ?]. Solute-Solvent [?]. Solutes [?]. Solution [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Solutions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Solvation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Solvatochromism [?, ?]. Solve [?]. Solved [?]. Solvent [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Solver [?]. Solving [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Some [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Something [?]. Sons [?]. SOSCF [?]. Space [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Space-Restricted [?]. space/bond [?]. spaced [?, ?]. Spaces [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Spanning [?, ?]. Spatial [?, ?, ?, ?, ?]. Spatially [?, ?, ?]. Special [?, ?, ?, ?, ?, ?, ?, ?]. Species [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Specific [?, ?]. specificity [?]. Spectra [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Spectral [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. spectrometric [?]. Spectroscopic [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Spectroscopical [?]. Spectroscopies [?, ?]. Spectroscopy [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Spectrum [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. speculation [?]. speech [?]. Sphere [?, ?, ?, ?, ?, ?, ?, ?]. Spherical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. spherically [?]. Spheroidal [?]. Spherulitic [?]. Spin [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. spin [?, ?, ?, ?, ?, ?, ?, ?, ?]. Spin- [?]. Spin-Adapted [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Spin-averaged [?]. Spin-Catalysis [?]. Spin-Coupled [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Spin-Dependent [?]. spin-extended [?]. Spin-Free [?, ?, ?]. Spin-Independent [?]. Spin-Mediated [?]. Spin-multiplet [?]. Spin-Orbit [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Spin-Paired [?]. Spin-Polarized [?, ?, ?, ?]. Spin-Projected [?]. Spin-Spin [?, ?]. Spin-Unrestricted [?, ?]. spinel [?]. spinless [?]. Spiral [?, ?]. spiro [?]. spirochromics [?]. spironaphthoxazines [?]. Spline [?, ?, ?]. split [?]. Splitting [?, ?, ?, ?, ?, ?, ?, ?]. Splittings [?]. sponsored [?]. Spontaneous [?]. spontaneously [?]. spore [?]. Springer [?, ?, ?, ?, ?, ?, ?]. Springer-Verlag [?, ?, ?, ?, ?, ?]. Square [?, ?, ?]. Square-Cell [?, ?]. Square-Pyramidal [?]. Squared [?]. Squares [?, ?]. Squeezed [?, ?, ?]. Squeezing [?]. SSCH [?]. SSH [?]. ST [?]. Stabilities [?, ?]. Stability [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Stabilization [?, ?, ?, ?, ?]. Stabilized [?, ?, ?, ?]. Stabilizing [?]. Stable [?, ?, ?, ?, ?, ?, ?, ?]. stack [?, ?]. stacked [?]. Stacking [?]. Stages [?, ?]. staggered [?]. Standard [?, ?, ?, ?, ?, ?, ?]. Stands [?]. Stark [?, ?]. starting [?]. State [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. state [?, ?, ?, ?, ?]. state-averaged [?]. State-Selective [?, ?]. State-Specific [?]. State-Universal [?]. States [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. states [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Static [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Stationary [?, ?, ?, ?, ?, ?, ?, ?, ?]. Statistical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Statistical-mechanical [?]. Status [?]. steepest [?]. Step [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Stephen [?]. stepped [?]. Steps [?, ?]. Stepwise [?]. stereoelectronic [?, ?]. Stereoisomers [?]. stereoregular [?, ?]. Stereoregulation [?]. stereoselectivity [?]. Steric [?, ?, ?]. sterically [?]. steroidal [?]. Stieltjes [?]. Stilbene [?, ?]. stimulated [?]. STM [?]. STO [?, ?]. Stochastic [?, ?, ?, ?, ?, ?, ?]. stoichiometry [?]. Stokes [?]. STOP [?]. Stopping [?, ?, ?, ?, ?]. Stopping-Power [?]. storage [?]. Story [?]. STOs [?, ?, ?, ?, ?]. Strain [?, ?, ?]. strained [?, ?, ?]. strained-layer [?]. strand [?, ?]. stranded [?]. strategic [?]. Strategies [?, ?, ?]. Strategy [?, ?, ?]. Stratified [?]. stratospheric [?]. Strength [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Strengths [?, ?, ?, ?, ?]. stretch [?]. Stretching [?, ?, ?, ?, ?]. Strictly [?]. String [?, ?]. Stripped [?]. strips [?]. Strong [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Strongly [?, ?, ?, ?, ?].

Structural [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Structure [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Structure [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. structure [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Structure-Activity [?, ?]. Structure-Affinity [?]. Structures [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Strumian [?]. Students [?]. Studied [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Studies [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. studies [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Study [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Study [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. study [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. study [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Studying [?, ?, ?]. Sturmian [?]. Sturmians [?]. Stuttgart [?]. Styrene [?]. sub [?]. sub-nanometer [?]. Subgraphs [?]. Subgroup [?]. Subgroup-chain [?]. subject [?]. Subjected [?]. Submission [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Subsets [?, ?]. Subshell [?]. Subspace [?]. Subspaces [?, ?]. Substates [?]. Substituent [?, ?, ?, ?, ?, ?, ?, ?]. Substituents [?, ?, ?, ?, ?]. Substituted [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. substitutes [?]. Substitution [?, ?, ?, ?, ?]. substitutional [?]. substitutions [?, ?, ?]. substrate [?, ?]. substrate-free [?]. Substrates [?]. subsystems [?]. subtilis [?]. Subtle [?, ?]. Subunit [?, ?]. Success [?]. successive [?]. succinonitrile [?].

Suited [?]. Sulfides [?, ?, ?]. Sulfinylanilines [?]. Sulfones [?]. Sulfur [?, ?, ?, ?, ?, ?, ?]. sulfur-bridged [?]. Sulfur-Centered [?]. Sulfur-Containing [?]. Sum [?, ?, ?]. Summation [?, ?, ?, ?]. Summations [?, ?]. Sums [?, ?, ?, ?, ?, ?, ?, ?]. suosan [?]. Super [?, ?, ?, ?]. Supercell [?]. supercells [?]. supercluster [?]. Superconducting [?, ?, ?, ?, ?, ?]. Superconductivity [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Superconductors [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Superdirect [?]. superlattice [?]. superlattices [?]. Superposition [?, ?, ?]. superstrong [?]. superstructures [?]. Supersymmetric [?]. Supersymmetry [?, ?]. suppressants [?]. Surface [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. surface-molecule [?]. Surfaces [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Surprises [?]. Surrounding [?]. survey [?]. susceptibilities [?, ?]. Susceptibility [?, ?, ?, ?]. Suspending [?]. Sutcliffe [?]. sweeteners [?]. Switching [?]. sydnone [?]. Symanzik [?]. Symbolic [?, ?, ?, ?, ?]. Symbols [?, ?, ?]. Symmetric [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Symmetric-group [?]. Symmetric-Top [?]. Symmetrical [?, ?]. symmetrically [?]. symmetricized [?]. Symmetries [?, ?, ?, ?, ?, ?]. Symmetrized [?, ?, ?, ?, ?]. Symmetrizing [?]. Symmetry [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. symmetry-adapted [?, ?, ?, ?, ?]. symmetry-reduced [?]. Symposia [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Symposium [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. synchronization [?]. Synchrotron [?]. synthase [?]. Synthesis [?, ?]. synthetic [?, ?]. synthons [?]. syntopy [?]. System [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. System-Partitioning [?]. Systematic [?, ?, ?, ?, ?, ?]. Systematics [?]. Systems [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. systems [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. systems [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?].

T [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Table [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. tables [?, ?, ?]. tail [?]. Tails [?]. take [?]. Taken [?]. Talc [?]. Tamm [?, ?]. Tamoxifen [?]. Tanaka [?]. target [?]. Targeted [?]. Targets [?]. Tautomeric [?, ?]. Tautomerism [?, ?, ?, ?, ?, ?]. Tautomerization [?, ?, ?]. Tautomers [?, ?, ?, ?]. Taylor [?]. TB [?]. TB-LMTO [?]. TCNQ [?]. td [?]. TDHF [?]. Te [?]. Teacher [?]. Technique [?, ?, ?, ?, ?, ?, ?, ?]. Techniques [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Technology [?]. TeCl [?]. Teller [?, ?, ?, ?, ?, ?, ?, ?, ?]. Temperature [?, ?, ?, ?, ?, ?]. Temperature-induced [?]. Temperatures [?]. template [?]. Temporal [?, ?]. tendencies [?]. Tennyson [?]. Tensor [?, ?, ?, ?, ?]. Tensorial [?, ?, ?, ?]. Tensors [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. tentative [?, ?]. teratogenicity [?]. term [?, ?]. Terminal [?]. Terms [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. tert} [?]. tert}-butylcyclopropanone [?]. Tesla [?]. Test [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Testimony [?]. Testing [?, ?]. Testosterone [?]. tests [?, ?]. tetracaine [?]. tetrachlorodibenzo [?]. Tetrachloromethane [?]. Tetracyanoethylene [?]. Tetrafluoride [?]. Tetrafluorobenzene [?]. tetrahedral [?]. tetrahedrane [?]. Tetrahydrocannabinols [?]. Tetrahydrofuran [?]. Tetrakis [?]. tetrameter [?]. tetramethylene [?]. tetranitroimidazole [?]. tetrapeptide [?]. Tetrasilane [?]. Tetratomic [?]. tetrazine [?]. tetrazole [?]. TG [?]. théaories [?, ?]. Theinyl [?]. Theinyl-Imino [?]. Their [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Them [?, ?]. Theorem [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Theorems [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Theoretic [?, ?, ?]. Theoretical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Theoretical [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Theoretically [?, ?]. Theoretically-derived [?]. theoretischen [?]. Théorie [?, ?]. Theories [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Theory [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Theory [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. theory [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. theory [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Theory-Based [?]. therapeutic [?]. There [?, ?]. Thermal [?, ?, ?, ?, ?, ?]. thermally [?]. Thermochemical [?, ?]. Thermochemistry [?]. Thermodynamic [?, ?]. Thermodynamics [?, ?, ?, ?]. Thermolysis [?]. Thiamin [?, ?]. Thiazole [?]. Thickness [?, ?]. Thin [?, ?, ?, ?]. think [?]. thioacetone [?]. Thioanisole [?]. thiocyanate [?]. thioformacetal [?]. thioformaldehyde [?]. thioguanine [?]. Thiooxamides [?]. Thiophene [?, ?, ?]. Thiophene- [?]. thiophenes [?]. Third [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Third-Order [?, ?, ?, ?, ?, ?, ?, ?]. Thirty [?]. Thomas [?, ?, ?, ?, ?, ?]. Three [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Three- [?, ?, ?, ?, ?]. Three-Body [?, ?, ?, ?, ?, ?]. Three-Center [?, ?, ?, ?]. Three-Dimensional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Three-Dimensional-Doped [?]. three-electron [?, ?, ?, ?]. Three-Level [?, ?, ?, ?, ?]. three-stranded [?]. threonylcarbonyl [?]. threshold [?]. thromboxane [?]. thylakoid [?]. Thymine [?, ?]. Ti [?, ?, ?, ?, ?, ?]. TI-doped [?]. TiCH [?]. TiCO [?, ?]. Tight [?, ?, ?, ?]. Tight-Binding [?, ?, ?, ?]. Time [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Time-Averaged [?]. Time-Dependent [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Time-Evolution [?, ?]. Time-Independent [?, ?, ?]. Time-resolved [?, ?, ?]. Time-Reversal [?]. Time-Varying [?]. times [?]. Tin [?, ?]. Tin-Encapsulated [?]. TiO [?, ?, ?, ?, ?]. tip [?]. tip-Al [?]. TiS [?]. Titanium [?, ?]. Titanium/Oxygen [?]. Title [?]. TlBa [?]. Tokyo [?]. Toluene [?]. Toluene- [?]. Tool [?, ?, ?, ?, ?, ?, ?, ?, ?]. Tools [?, ?, ?, ?, ?]. Top [?, ?, ?]. Topic [?]. Topics [?]. Topographical [?]. topoisomerase [?]. Topological [?, ?, ?, ?, ?, ?, ?, ?]. Topologies [?]. Topology [?, ?, ?, ?, ?]. Torsion [?]. Torsional [?, ?, ?, ?, ?, ?]. Total [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. total-energy [?]. Totally [?]. toxicological [?]. trace [?]. Traces [?, ?]. Track [?, ?]. tracts [?]. trajectories [?, ?, ?]. trans [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. trans}-2 [?]. trans}-effect [?]. trans}-Nitric [?]. trans}-pinocarveol [?]. trans}-Polyacetylene [?, ?, ?, ?, ?, ?, ?]. Transannular [?, ?]. transcriptase [?]. Transfer [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Transferability [?, ?, ?]. Transfers [?, ?]. Transform [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Transformation [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Transformations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Transforming [?]. Transforms [?, ?, ?]. Transient [?, ?]. Transition [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Transition-Element [?, ?]. Transition-Metal [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Transition-State [?, ?, ?, ?, ?]. Transitional [?]. Transitions [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Translated [?]. Translation [?, ?]. Translational [?, ?, ?]. transmission [?, ?, ?]. transpolyacetylene [?]. Transport [?, ?, ?, ?, ?, ?, ?, ?, ?]. Trapped [?]. Trapping [?]. traversal [?]. treat [?]. treated [?]. Treating [?, ?]. Treatment [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Treatments [?, ?]. Tree [?, ?]. tree-search [?]. Trees [?, ?]. Trends [?, ?, ?]. Triads [?]. Trial [?]. Trianion [?]. Triatom [?]. Triatomic [?, ?, ?, ?, ?, ?, ?, ?, ?]. triatomics [?, ?]. Triazole [?]. tribute [?]. tricyclic [?]. Tricyclo [?, ?]. Tricyclohexane [?]. Tricyclopentane [?]. tridiagonal [?]. triexcited [?, ?]. trifluoromethyl [?]. Trifluoromethylvinyl [?]. Triggered [?]. triglycerides [?]. Trimer [?, ?, ?]. trinitroimidazole [?]. trioxane [?]. Tripeptide [?]. Triphenylphosphino [?]. Triple [?, ?, ?]. Triple-Excitation [?]. Triple-Zeta [?]. Triples [?, ?, ?]. Triplet [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Triplet-singlet [?]. triplex [?]. Triply [?, ?, ?]. TRIPOS [?]. Trisnitroxymetaphenylene [?]. tromsø [?, ?]. tropolone [?]. Trotter [?]. Trp [?]. Truncated [?]. tryptamine [?]. Tryptamines [?]. TST [?]. TTF [?]. TTF-2 [?]. TTF-DCNQI [?]. TTF-TCNQ [?]. Tungsten [?, ?, ?, ?]. Tunnel [?]. Tunneling [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Turkey [?]. turn [?]. Twentieth [?, ?]. twist [?]. twisted [?]. Twisting [?, ?]. Two [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. two [?, ?, ?]. two- [?, ?, ?, ?, ?]. Two-Body [?, ?]. Two-Center [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Two-Component [?, ?]. two-coordinated [?]. Two-Dimensional [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Two-Electron [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Two-Particle [?, ?]. Two-Particle-Hole [?]. Two-photon [?]. Two-Point [?]. two-proton [?]. Two-Row [?]. two-shell [?, ?]. Two-Site [?]. two-state [?]. two-step [?]. two-valence [?]. Two-Well [?]. two/one [?]. two/one-component [?]. Type [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. type-IV [?]. Types [?]. typical [?]. Tyr [?, ?]. tyrosine [?].

U [?, ?]. UB [?]. UBC [?]. ubiquinone [?]. UC [?]. UF [?]. UFe [?]. UHF [?]. UK [?]. ultimate [?]. ultime [?]. ultra [?]. ultra-thin [?]. Ultrafast [?, ?, ?]. Ultrahigh [?]. Ultrasharp [?]. Ultrashort [?]. ultrathin [?, ?]. Ultraviolet [?]. Unambiguous [?]. uncoupled [?]. Uncoupling [?]. Uncovering [?]. undergo [?]. underlying [?].

Understanding [?, ?, ?, ?, ?, ?]. Unexpected [?]. unfolded [?]. unfolding [?]. Uniaxial [?]. Unification [?]. Unified [?, ?, ?]. uniformly [?, ?]. Unimolecular [?, ?, ?, ?]. Union [?]. Unique [?]. Uniqueness [?, ?, ?, ?, ?, ?]. Unit [?, ?]. Unitary [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Unitary-group-based [?]. Units [?, ?, ?, ?]. Universal [?, ?, ?, ?, ?, ?, ?, ?]. University [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. unknown [?]. unlike [?]. unrelaxed [?]. Unrestricted [?, ?, ?, ?]. Unsaturated [?, ?, ?, ?]. unstable [?]. until [?]. unusual [?, ?]. upon [?, ?, ?, ?]. Upper [?, ?, ?, ?, ?, ?, ?, ?]. Upper- [?]. UPt [?]. Uracil [?, ?, ?]. uranium [?, ?]. Urea [?, ?]. Urea-Nitrate [?]. urocanic [?]. Use [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Used [?, ?, ?, ?]. Usefulness [?]. Using [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. using [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Utilization [?]. Utopia [?]. UV [?, ?].

V [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. V-VII [?]. vacancies [?]. Vacancy [?, ?]. vacuo} [?]. Val [?]. Valence [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Valence-Bond [?, ?, ?, ?, ?, ?, ?, ?]. Valence-Shell [?, ?]. Valence-split [?]. Valence-Universal [?, ?, ?, ?, ?]. Valencies [?, ?]. Valency [?, ?]. Valent [?]. valid [?]. Validity [?, ?]. Valproic [?]. Valpromide [?, ?]. Valuable [?]. Value [?, ?]. Values [?, ?, ?, ?, ?, ?]. Vanadate [?]. vanadium [?]. Vapor [?]. Variable [?, ?, ?, ?]. Variable-Step [?]. variables [?]. variants [?, ?]. Variation [?, ?, ?, ?]. Variation-Iteration [?]. Variational [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. variety [?, ?]. Various [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Varying [?, ?, ?, ?]. VB [?, ?, ?, ?, ?]. VBSCF [?, ?]. VCO [?]. Vector [?, ?]. Vectors [?]. Verlag [?, ?, ?, ?, ?, ?, ?]. Version [?, ?, ?, ?, ?]. Versus [?, ?, ?, ?, ?, ?, ?, ?]. Vertex [?]. Vertex-Alternation [?]. vertical [?, ?]. Very [?, ?, ?, ?, ?, ?, ?, ?, ?]. VI [?, ?, ?]. VI. [?]. Via [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Vibration [?, ?, ?, ?, ?, ?, ?, ?]. vibration-rotation [?]. Vibrational [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Vibrational-Rotational [?]. Vibrationally [?, ?]. Vibrations [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Vibronic [?, ?, ?, ?, ?, ?]. View [?, ?, ?]. Viewpoint [?, ?, ?]. Views [?]. VIF [?]. VII [?, ?, ?, ?]. vinelandii [?]. Vinyl [?, ?]. Vinylamine [?]. vinylpyridines [?]. violating [?]. Virial [?, ?, ?, ?, ?, ?, ?, ?]. virial-type [?]. Viridis [?]. Virtual [?, ?, ?, ?, ?, ?, ?, ?, ?]. Vision [?]. Visualization [?, ?]. Vitae [?, ?, ?]. vitro [?]. VO [?]. void [?]. Vol [?, ?, ?, ?, ?, ?, ?, ?]. voltage [?]. Volume [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Volume-Dependent [?]. volumes [?]. Voronoi [?]. VPA [?]. VPGG [?]. vs [?, ?, ?, ?, ?, ?, ?]. VSCC [?].

W [?, ?, ?, ?]. Waals [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Wagging [?]. walk [?]. walking [?]. Walks [?, ?]. wall [?]. Walls [?]. Wannier [?, ?]. Water [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Water-Assisted [?]. Water-Carbon [?]. Watson [?, ?]. Waugh [?]. Waugh-type [?]. Wave [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Wave-Function [?, ?, ?, ?, ?, ?]. wave-packet [?]. wavefunctions [?, ?, ?]. Wavelet [?]. Wavelets [?]. wavepacket [?]. wavepackets [?, ?]. Waves [?, ?, ?, ?, ?]. Way [?, ?, ?, ?, ?, ?, ?, ?]. Ways [?]. Weak [?, ?, ?]. Weakly [?, ?]. weight [?]. weighted [?]. Weizsäcker [?]. Well [?, ?, ?]. well-depth [?]. Wells [?, ?]. Werner [?]. Werner-type [?]. Weyl [?]. WF [?]. Wheeler [?]. Wheland [?]. Which [?]. While [?]. Whose [?]. widths [?, ?]. Wiener [?, ?]. Wigner [?, ?, ?, ?, ?, ?, ?, ?]. Wigner-Based [?]. Wigner-like [?]. Wiley [?]. William [?, ?]. Wires [?]. Wirzba [?]. withdrawing [?]. Within [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Without [?, ?, ?, ?, ?]. WKB [?, ?]. WO [?, ?]. Wolf [?, ?]. Wolfgang [?]. Woodward [?]. words [?]. Work [?, ?]. Working [?]. Works [?]. Workshop [?, ?, ?]. Workstations [?]. wrong [?]. Wurtzite [?]. Wurtzite-type [?]. Wyatt [?].

X [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. X-Alpha [?]. X-NO [?]. X-Ray [?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Xe [?, ?, ?, ?, ?, ?]. Xe-NMR [?]. XeF [?]. Xenon [?]. XH [?, ?]. XII [?]. XIII [?]. xiv [?, ?]. XPS [?, ?, ?]. xvi [?]. XXVI [?]. XY [?, ?, ?]. xylose [?]. XYSO [?]. XYZPO [?].

Y. [?]. Yang [?, ?, ?]. YBa [?, ?, ?, ?, ?, ?]. years [?, ?]. YH [?]. ylacetic [?]. ylide [?]. ylidene [?]. YN [?]. Yngve [?]. York [?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?, ?]. Yugoslav [?]. Yukawa [?, ?]. Yurtsever [?].

Z [?, ?, ?, ?]. Z-1 [?]. Zagreb [?]. Zahradník [?, ?]. Zajonc [?]. ZDO [?]. Zeeman [?]. Zeolite [?, ?, ?, ?]. Zeolite/Adsorbate [?]. Zeolites [?, ?, ?]. zeolitic [?]. zero [?, ?, ?]. zero-field [?]. zero-point [?]. zero-voltage [?]. Zeroth [?]. zervamicin [?]. Zeta [?, ?, ?]. Zeta-Function [?]. ZH [?]. Zhang [?]. Ziegler [?, ?]. Ziegler-Natta [?]. Zimm [?]. Zimmerman [?]. Zinc [?, ?]. Zinn [?]. Zinn-Justin [?]. zippers [?]. Zn [?]. ZnO [?, ?, ?, ?, ?]. ZnS [?, ?, ?]. ZnSe [?, ?, ?, ?]. Zr [?, ?, ?]. ZrO [?]. ZrSiO [?]. Zwitterionic [?].