-
1
-
-
33847599187
-
-
Thomas, J.R.; DeLeeuw, B.J.; Vacek, G.; Crawford, T.D.; Yamaguchi, Y.; Schaefer, H.F. J. Chem. Phys. 1993, 99, 403.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 403
-
-
Thomas, J.R.1
Deleeuw, B.J.2
Vacek, G.3
Crawford, T.D.4
Yamaguchi, Y.5
Schaefer, H.F.6
-
2
-
-
36549099158
-
-
Yamaguchi, Y.; Frisch, M.J.; Gaw, J.F.; Schaefer, H.F. J. Chem. Phys. 1986, 84, 2262.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 2262
-
-
Yamaguchi, Y.1
Frisch, M.J.2
Gaw, J.F.3
Schaefer, H.F.4
-
8
-
-
0001622373
-
-
Bruna, P.J.; Hachey, M.R.J.; Grein, F.J. Mol. Struct. (THEOCHEM) 1997, 400, 177.
-
(1997)
Mol. Struct. (THEOCHEM)
, vol.400
, pp. 177
-
-
Bruna, P.J.1
Hachey, M.R.J.2
Grein, F.J.3
-
9
-
-
0001227531
-
-
Poulin, N.M.; Bramley, M.J.; Carrington, T., Jr.; Kraergaard, H.G.; Henry, B.R. J. Chem. Phys. 1996, 104, 7807.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 7807
-
-
Poulin, N.M.1
Bramley, M.J.2
Carrington T., Jr.3
Kraergaard, H.G.4
Henry, B.R.5
-
11
-
-
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 T.H., Jr.2
Harrison, R.J.3
-
15
-
-
0041536947
-
-
Wilson, A.K.; Mourik, T.V.; Dunning, T.H., Jr. J. Mol. Struct. (THEOCHEM) 1997, 388, 339.
-
(1997)
J. Mol. Struct. (THEOCHEM)
, vol.388
, pp. 339
-
-
Wilson, A.K.1
Mourik, T.V.2
Dunning T.H., Jr.3
-
17
-
-
0001685342
-
-
Schaefer, H.F., Ed.; Plenum: New York
-
Pulay, P. In Modern Theoretical Chemistry; Schaefer, H.F., Ed.; Plenum: New York, 1977; Vol. 2, p 153.
-
(1977)
Modern Theoretical Chemistry
, vol.2
, pp. 153
-
-
Pulay, P.1
-
18
-
-
36749109099
-
-
Goddard, J.D.; Handy, N.C.; Schaefer, H.F. J. Chem. Phys. 1979, 71, 1525.
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 1525
-
-
Goddard, J.D.1
Handy, N.C.2
Schaefer, H.F.3
-
21
-
-
84986444438
-
-
(a) Pople, J.A.; Binkley, J.S.; Seeger, R. Int. J. Quantum Chem. Symp. 1976, 10, 1.
-
(1976)
Int. J. Quantum Chem. Symp.
, vol.10
, pp. 1
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
23
-
-
0000649832
-
-
(c) Krishnan, R.; Frisch, M. J.; Pople, J.A. J. Chem. Phys. 1980, 72, 4244.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 4244
-
-
Krishnan, R.1
Frisch, M.J.2
Pople, J.A.3
-
24
-
-
0344980861
-
-
Raghavachari, K.; Pople, J.A.; Replogle, E.S.; Head-Gordon, M. J. Phys. Chem. 1990, 94, 5579.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5579
-
-
Raghavachari, K.1
Pople, J.A.2
Replogle, E.S.3
Head-Gordon, M.4
-
25
-
-
36749108303
-
-
Brooks, B.R.; Laidig, W.D.; Saxe, P.; Goddard, J.D.; Yamaguchi, Y.; Schaefer, H.F. J. Chem. Phys. 1980, 72, 4652.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 4652
-
-
Brooks, B.R.1
Laidig, W.D.2
Saxe, P.3
Goddard, J.D.4
Yamaguchi, Y.5
Schaefer, H.F.6
-
26
-
-
0000147644
-
-
Osamura, Y.; Yamaguchi, Y.; Schaefer, H.F. J. Chem. Phys. 1981, 75, 2919.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 2919
-
-
Osamura, Y.1
Yamaguchi, Y.2
Schaefer, H.F.3
-
27
-
-
0000802174
-
-
Osamura, Y.; Yamaguchi, Y.; Schaefer, H.F. J. Chem. Phys. 1982, 77, 383.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 383
-
-
Osamura, Y.1
Yamaguchi, Y.2
Schaefer, H.F.3
-
28
-
-
0001073319
-
-
Rice, J.E.; Amos, R.D.; Handy, N.C.; Lee, T.J.; Schaefer, H.F. J. Chem. Phys. 1986, 85, 963.
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 963
-
-
Rice, J.E.1
Amos, R.D.2
Handy, N.C.3
Lee, T.J.4
Schaefer, H.F.5
-
29
-
-
84987097935
-
-
Pople, J.A.; Krishnan, R.; Schlegel, H.B.; Binkley, J.S. Int. J. Quantum Chem. 1978, 14, 545.
-
(1978)
Int. J. Quantum Chem.
, vol.14
, pp. 545
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
30
-
-
0011682081
-
-
Pople, J.A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
33
-
-
36549098398
-
-
Scuseria, G.E.; Janssen, C.L.; Schaefer, H.F. J. Chem. Phys. 1988, 89, 7382.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 7382
-
-
Scuseria, G.E.1
Janssen, C.L.2
Schaefer, H.F.3
-
35
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G.W.; Pople, J.A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
36
-
-
0001260773
-
-
Scheiner, A.C.; Scuseria, G.E.; Rice, J.E.; Lee, T. J.; Schaefer, H.F. J. Chem. Phys. 1987, 87, 5361.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5361
-
-
Scheiner, A.C.1
Scuseria, G.E.2
Rice, J.E.3
Lee, T.J.4
Schaefer, H.F.5
-
37
-
-
0004073319
-
-
PSITECH, Inc.: Watkinsville, GA 30677, U.S.A.
-
Janssen, C.L.; Seidl, E.T.; Scuseria, G.E.; Hamilton, T.P.; Yamaguchi, Y.; Remington, R.B.; Xie, Y.; Vacek, G.; Sherrill, C.D.; Crawford, T.D.; Fermann, J.T.; Allen, W.D.; Brooks, B.R.; Fitzgerald, G.B.; Fox, D.J.; Gaw, J.F.; Handy, N.C.; Leidig, W.D.; Lee, T.J.; Pitzer, R.M.; Rice, J.E.; Saxe, P.; Sheiner, A.C.; Schaefer, H.F. PSI 2.0.8; PSITECH, Inc.: Watkinsville, GA 30677, U.S.A., 1994.
-
(1994)
PSI 2.0.8
-
-
Janssen, C.L.1
Seidl, E.T.2
Scuseria, G.E.3
Hamilton, T.P.4
Yamaguchi, Y.5
Remington, R.B.6
Xie, Y.7
Vacek, G.8
Sherrill, C.D.9
Crawford, T.D.10
Fermann, J.T.11
Allen, W.D.12
Brooks, B.R.13
Fitzgerald, G.B.14
Fox, D.J.15
Gaw, J.F.16
Handy, N.C.17
Leidig, W.D.18
Lee, T.J.19
Pitzer, R.M.20
Rice, J.E.21
Saxe, P.22
Sheiner, A.C.23
Schaefer, H.F.24
more..
-
38
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Gill, P.M.W.; Johnson, B.J.; Robb, M.A.; Cheeseman, J.R.; Keith, T.; 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 94, Revision C.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision C.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.J.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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