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0000622637
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[9] See for example and A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
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Gaussian, Pittsburgh, PA
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[17] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian 94, Revision A. 1 (Gaussian, Pittsburgh, PA, 1995).
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Gaussian 94, Revision A. 1
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
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18
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0004013073
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[18] ACESII, an ab initio program system, authored by J.F. Staton, J. Gauss, W.J. Lauderdale, J.D. Watts and R.J. Bartlett. The package also containes modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P.R. Taylor, the ABACUS integral derivative program written by T. Helgaker, H.J. Aa. Jensen, P. Jøgensen and P.R. Taylor, and the PROPS property integral code of P.R. Taylor.
-
ACESII, An Ab Initio Program System
-
-
Staton, J.F.1
Gauss, J.2
Lauderdale, W.J.3
Watts, J.D.4
Bartlett, R.J.5
-
19
-
-
85033184467
-
-
[18] ACESII, an ab initio program system, authored by J.F. Staton, J. Gauss, W.J. Lauderdale, J.D. Watts and R.J. Bartlett. The package also containes modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P.R. Taylor, the ABACUS integral derivative program written by T. Helgaker, H.J. Aa. Jensen, P. Jøgensen and P.R. Taylor, and the PROPS property integral code of P.R. Taylor.
-
Molecule Gaussian Integral Program
-
-
Almlöf, J.1
Taylor, P.R.2
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20
-
-
0011587452
-
-
[18] ACESII, an ab initio program system, authored by J.F. Staton, J. Gauss, W.J. Lauderdale, J.D. Watts and R.J. Bartlett. The package also containes modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P.R. Taylor, the ABACUS integral derivative program written by T. Helgaker, H.J. Aa. Jensen, P. Jøgensen and P.R. Taylor, and the PROPS property integral code of P.R. Taylor.
-
ABACUS Integral Derivative Program
-
-
Helgaker, T.1
Jensen, H.J.Aa.2
Jøgensen, P.3
Taylor, P.R.4
-
21
-
-
0011650227
-
-
[18] ACESII, an ab initio program system, authored by J.F. Staton, J. Gauss, W.J. Lauderdale, J.D. Watts and R.J. Bartlett. The package also containes modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P.R. Taylor, the ABACUS integral derivative program written by T. Helgaker, H.J. Aa. Jensen, P. Jøgensen and P.R. Taylor, and the PROPS property integral code of P.R. Taylor.
-
PROPS Property Integral Code
-
-
Taylor, P.R.1
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22
-
-
0011588556
-
-
[19] GAMESS, M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis and J.S. Montgomery.
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Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.S.13
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23
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0000162947
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[20] See for example, G.D. Bent, G.F. Adams, R.H. Bartram, G.D. Purvis and R.D. Bartlett, J. Chem. Phys. 76 (1982) 4144.
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Bent, G.D.1
Adams, G.F.2
Bartram, R.H.3
Purvis, G.D.4
Bartlett, R.D.5
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25
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0000454499
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[22] S.C. Foster, P. Misra, T.D. Lin, C.P. Damo, C.C. Carter and T.A. Miller, J. Phys. Chem. 92 (1988) 5914.
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Foster, S.C.1
Misra, P.2
Lin, T.D.3
Damo, C.P.4
Carter, C.C.5
Miller, T.A.6
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33
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0011650228
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private communication
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[30] T.A. Miller, private communication.
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Miller, T.A.1
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