Last update: Sun Jun 2 02:00:44 MDT 2019
Top |
Symbols |
Math |
A |
B |
C |
D |
E |
F |
G |
H |
I |
J |
K |
L |
M |
N |
O |
P |
Q |
R |
S |
T |
U |
V |
W |
X |
Y |
Z
BibTeX entry
@Article{Cremer:1982:TDIa,
author = "Dieter Cremer",
title = "Thermochemical data from ab initio calculations. {I}.
{Estimation} of {SCF} energies for augmented basis sets
and {Hartree--Fock} limit energies",
journal = j-J-COMPUT-CHEM,
volume = "3",
number = "2",
pages = "154--164",
month = "Summer",
year = "1982",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/jcc.540030206",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 15:28:21 MST 2012",
bibsource = "http://www.interscience.wiley.com/jpages/0192-8651;
http://www.math.utah.edu/pub/tex/bib/jcomputchem1980.bib",
acknowledgement = ack-nhfb,
fjournal = "Journal of Computational Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651",
onlinedate = "7 Sep 2004",
}
Related entries
- basis,
1(2)134,
2(1)73,
2(1)87,
2(2)212,
3(3)363,
3(4)561,
4(1)48,
4(2)181,
4(2)241,
4(3)294,
4(4)482,
4(4)506,
4(4)578,
5(1)1,
5(2)146,
5(2)207,
5(4)381,
5(5)500,
5(6)612,
5(6)640,
6(4)296,
6(4)312,
6(5)343,
6(6)520,
6(6)533,
7(3)259,
7(3)359,
7(4)396,
8(1)51,
8(2)117,
8(5)663,
8(5)674,
8(6)788,
8(6)810,
8(6)861,
8(6)880,
8(7)982,
8(7)1057,
8(8)1109,
9(5)488,
9(5)495,
9(6)627,
9(7)801,
10(1)112,
10(2)152,
10(3)329,
10(4)495,
10(5)648,
10(5)660,
10(6)753,
10(7)875
- Cremer, Dieter,
3(2)165,
7(3)274,
8(1)48
- data,
1(1)46,
3(2)165,
3(4)486,
5(2)175,
5(2)182,
6(3)229,
6(6)514,
6(6)614,
7(3)380,
9(2)148,
9(6)662,
9(8)861,
10(5)673
- energy,
1(1)30,
1(1)59,
1(2)134,
1(2)141,
1(3)266,
1(4)373,
2(1)63,
2(2)149,
2(3)287,
2(3)334,
2(3)356,
2(4)460,
3(1)23,
3(1)28,
3(1)53,
3(2)165,
3(2)178,
3(3)283,
3(3)372,
3(3)400,
3(3)417,
3(4)471,
3(4)552,
4(1)33,
4(2)187,
4(3)308,
4(4)506,
5(2)197,
5(4)307,
5(4)336,
5(4)374,
5(4)381,
5(5)480,
5(6)528,
5(6)548,
5(6)589,
5(6)598,
6(1)5,
6(2)116,
6(3)157,
6(3)189,
6(4)312,
6(5)377,
6(5)432,
6(6)652,
7(1)13,
7(1)20,
7(1)30,
7(3)334,
7(3)379,
7(4)523,
7(4)539,
7(5)591,
7(5)648,
7(5)693,
8(1)81,
8(2)132,
8(3)204,
8(3)272,
8(4)282,
8(5)625,
8(5)651,
8(6)810,
8(6)826,
8(7)972,
8(7)1016,
8(7)1025,
8(8)1075,
8(8)1199,
9(1)63,
9(2)158,
9(4)387,
9(4)441,
9(5)488,
9(5)518,
9(5)522,
9(6)600,
9(6)650,
9(8)810,
9(8)861,
10(1)55,
10(1)63,
10(2)152,
10(2)163,
10(4)520,
10(5)603,
10(5)616,
10(5)733,
10(6)856,
10(7)875,
10(8)1016,
10(8)1031
- estimation,
2(3)334,
9(8)893
- Fock, Hartree-,
1(2)178,
2(1)83,
2(3)334,
4(1)33,
4(1)41,
4(2)234,
4(4)578,
8(5)727,
10(3)295
- Hartree--Fock,
1(2)178,
2(1)83,
2(3)334,
4(1)33,
4(1)41,
4(2)234,
4(4)578,
8(5)727,
10(3)295
- limit,
2(3)334,
5(2)186
- SCF,
2(2)182,
3(1)14,
3(3)385,
3(4)495,
3(4)556,
4(1)9,
4(4)563,
6(1)68,
6(4)287,
7(3)274,
7(4)464,
8(4)454,
8(6)761,
9(2)107,
10(1)14,
10(1)104
- set,
1(2)134,
1(3)205,
2(1)73,
2(1)87,
2(1)96,
2(1)100,
2(1)108,
2(3)278,
3(1)6,
3(3)363,
3(4)561,
4(2)181,
4(2)241,
4(3)294,
4(4)482,
4(4)506,
5(1)1,
5(2)146,
5(2)207,
5(4)381,
5(6)612,
6(3)209,
6(4)296,
6(4)312,
6(6)520,
6(6)533,
7(2)140,
7(3)259,
7(3)359,
7(4)396,
8(1)51,
8(2)117,
8(3)226,
8(3)256,
8(4)442,
8(5)663,
8(5)674,
8(6)788,
8(6)810,
8(6)861,
8(6)880,
8(7)982,
8(7)1057,
8(8)1109,
9(4)356,
9(5)488,
9(5)495,
9(6)596,
9(6)627,
9(6)674,
9(7)801,
10(1)112,
10(2)152,
10(3)329,
10(4)495,
10(5)648,
10(5)660,
10(6)753,
10(7)875
- Thermochemical,
3(2)165