-
8
-
-
0008901450
-
-
Jorgensen, W. L.; Briggs, J. M.; Contreras, M. L. J. Phys. Chem. 1990, 94, 1683.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 1683
-
-
Jorgensen, W.L.1
Briggs, J.M.2
Contreras, M.L.3
-
9
-
-
36849133986
-
-
Bartell, L. S.; Brockway, L. O.; Schwendeman, R. H. J. Chem. Phys. 1955, 23, 1854.
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 1854
-
-
Bartell, L.S.1
Brockway, L.O.2
Schwendeman, R.H.3
-
10
-
-
36449006381
-
-
Chang, T.-M.; Peterson, K. A.; Dang, L. X. J. Chem. Phys. 1995, 103, 7502.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 7502
-
-
Chang, T.-M.1
Peterson, K.A.2
Dang, L.X.3
-
11
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA.
-
Gaussian 94 (Revision A.1): Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon. M.; Gonzalez, C.; Pople, J. A. Gaussian Inc., Pittsburgh, PA. 1995.
-
(1995)
Gaussian 94 (Revision A.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.A.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..
-
12
-
-
33947091822
-
-
Applequist, J.; Carl, J. R.; Fung, K.-K. J. Am. Chem. Soc. 1972, 94, 2952.
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 2952
-
-
Applequist, J.1
Carl, J.R.2
Fung, K.-K.3
-
13
-
-
33646940952
-
-
Ryckaert, J.; Ciccotti, G.; Berendsen, H. J. C. J. Comput. Phys. 1977, 23, 327.
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327
-
-
Ryckaert, J.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
16
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
19
-
-
0003394271
-
-
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.
-
MOLPRO Is a Package of Ab Initio Programs
-
-
Werner, H.-J.1
Knowles, P.J.2
Almlöf, J.3
Amos, R.D.4
Deegan, M.J.O.5
Elbert, S.T.6
Hampel, C.7
Meyer, W.8
Peterson, K.A.9
Pitzer, R.M.10
Stone, A.J.11
Taylor, P.R.12
Lindh, R.13
-
20
-
-
5844249191
-
-
Manuscript in preparation
-
Peterson, K. A. Manuscript in preparation.
-
-
-
Peterson, K.A.1
-
21
-
-
0346811305
-
-
Bertagnolli, H.; Leight, D. O.; Zeidler, M. D.; Chieux, P. Mol. Phys. 1978, 36, 1769.
-
(1978)
Mol. Phys.
, vol.36
, pp. 1769
-
-
Bertagnolli, H.1
Leight, D.O.2
Zeidler, M.D.3
Chieux, P.4
-
23
-
-
36449008627
-
-
Alejandre, J. D.; Tildesley, J.; Chapela, G. A. J. Chem. Phys. 1995, 102, 4574.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4574
-
-
Alejandre, J.D.1
Tildesley, J.2
Chapela, G.A.3
-
24
-
-
5844288413
-
-
Lie, G. C.; Grigoras, S.; Dang, L. X.; Yang, D.-Y.; Mclean, A. D. J. Chem. Phys. 1995, 102, 4574.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4574
-
-
Lie, G.C.1
Grigoras, S.2
Dang, L.X.3
Yang, D.-Y.4
Mclean, A.D.5
-
25
-
-
0346074435
-
-
Kirkwood, J. G.; Buff, F. P. J. Chem. Phys. 1949, 17, 338. Salomons, E.; Mareschal, M. J. Phys.: Condens. Matter 1991, 3, 3645.
-
(1949)
J. Chem. Phys.
, vol.17
, pp. 338
-
-
Kirkwood, J.G.1
Buff, F.P.2
-
26
-
-
33645520579
-
-
Kirkwood, J. G.; Buff, F. P. J. Chem. Phys. 1949, 17, 338. Salomons, E.; Mareschal, M. J. Phys.: Condens. Matter 1991, 3, 3645.
-
(1991)
J. Phys.: Condens. Matter
, vol.3
, pp. 3645
-
-
Salomons, E.1
Mareschal, M.2
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