-
1
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
GAUSSIAN 94, Revision D.1, 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, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision D.1
-
-
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..
-
2
-
-
85034472679
-
-
note
-
The CADPAC electronic structure program is maintained by R. D. Amos, University of Cambridge.
-
-
-
-
3
-
-
85034471884
-
-
note
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone, P. R. Taylor, and R. Lindh.
-
-
-
-
4
-
-
85034467464
-
-
note
-
ACES II is a computational chemistry package especially designed for CC and MBPT energy and gradient calculations. Elements of this package are: the self-consistent field, integral transformation, correlation energy, and gradient programs written by J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett; the VMOL integral and VPROPS property integral programs written by P. R. Taylor and J. Almlöf; a modified version of the integral derivative program ABACUS written by T. Helgaker, H. J. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor and the geometry optimization and vibrational analysis package written by J. F. Stanton and D. E. Bernholdt.
-
-
-
-
9
-
-
85034469800
-
Intrinsic Errors in Correlated Electronic Structure Calculations on Molecules
-
Honolulu, Hawaii, 17-22 December unpublished
-
Intrinsic Errors in Correlated Electronic Structure Calculations on Molecules, T. H. Dunning, Jr., K. A. Peterson, and D. E. Woon, Pacific-Chem'95, Honolulu, Hawaii, 17-22 December 1995 (unpublished).
-
(1995)
Pacific-Chem'95
-
-
Dunning Jr., T.H.1
Peterson, K.A.2
Woon, D.E.3
-
10
-
-
0000119421
-
-
J. Olsen, O. Christiansen, H. Kock, and P. Jørgensen, J. Chem. Phys. 105, 5082 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 5082
-
-
Olsen, J.1
Christiansen, O.2
Kock, H.3
Jørgensen, P.4
-
11
-
-
16144366604
-
-
O. Christiansen, J. Olsen, P. Jørgensen, H. Koch, and P.-A. Malmqvist, Chem. Phys. Lett. 261, 369 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.261
, pp. 369
-
-
Christiansen, O.1
Olsen, J.2
Jørgensen, P.3
Koch, H.4
Malmqvist, P.-A.5
-
13
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
17
-
-
0041536947
-
-
A. K. Wilson, T. van Mourik, and T. H. Dunning, Jr., J. Mol. Struct.: THEOCHEM 388, 339 (1996).
-
(1996)
J. Mol. Struct.: Theochem
, vol.388
, pp. 339
-
-
Wilson, A.K.1
Van Mourik, T.2
Dunning Jr., T.H.3
-
19
-
-
36449000060
-
-
K. A. Peterson, R. A. Kendall, and T. H. Dunning, Jr., J. Chem. Phys. 99, 1930 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 1930
-
-
Peterson, K.A.1
Kendall, R.A.2
Dunning Jr., T.H.3
-
20
-
-
0000561826
-
-
K. A. Peterson, R. A. Kendall, and T. H. Dunning, Jr., J. Chem. Phys. 99, 9790 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 9790
-
-
Peterson, K.A.1
Kendall, R.A.2
Dunning Jr., T.H.3
-
21
-
-
0010408411
-
-
K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. 100, 7410 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning Jr., T.H.3
-
32
-
-
0002660075
-
-
W. J. Lauderdale, J. F. Stanton, J. Gauss, J. D. Watts, and R. J. Bartlett, Chem. Phys. Lett. 187, 21 (1991).
-
(1991)
Chem. Phys. Lett.
, vol.187
, pp. 21
-
-
Lauderdale, W.J.1
Stanton, J.F.2
Gauss, J.3
Watts, J.D.4
Bartlett, R.J.5
|