-
5
-
-
85005723006
-
-
N.C. Handy, D.J. Tozer, G.J. Laming, C.W. Murray, R.D. Amos, Israel J. Chem. 33 (1993) 331.
-
(1993)
Israel J. Chem.
, vol.33
, pp. 331
-
-
Handy, N.C.1
Tozer, D.J.2
Laming, G.J.3
Murray, C.W.4
Amos, R.D.5
-
11
-
-
84981594184
-
-
H. Chermette, A. Lembarld, P. Gulbinat, J. Weber, Int. J. Quantum Chem. 56 (1995) 753.
-
(1995)
Int. J. Quantum Chem.
, vol.56
, pp. 753
-
-
Chermette, H.1
Lembarld, A.2
Gulbinat, P.3
Weber, J.4
-
23
-
-
0000227849
-
-
J.G. Angyan, G. Jansen, M. Loos, C. Hattig, B. Hess, Chem. Phys. Lett. 219 (1994) 267.
-
(1994)
Chem. Phys. Lett.
, vol.219
, pp. 267
-
-
Angyan, J.G.1
Jansen, G.2
Loos, M.3
Hattig, C.4
Hess, B.5
-
26
-
-
84987071642
-
-
G.H.F. Diercksen, J. Oddershede, I. Paidarova, J.R. Sabin, Int. J. Quantum Chem. 39 (1991) 755.
-
(1991)
Int. J. Quantum Chem.
, vol.39
, pp. 755
-
-
Diercksen, G.H.F.1
Oddershede, J.2
Paidarova, I.3
Sabin, J.R.4
-
33
-
-
36449002758
-
-
J. Guan, P. Duffy, J.T. Carter, D.P. Chong, K.C. Casida, M.E. Casida, M. Grinn, J. Chem. Phys. 98 (1993) 4753.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 4753
-
-
Guan, J.1
Duffy, P.2
Carter, J.T.3
Chong, D.P.4
Casida, K.C.5
Casida, M.E.6
Grinn, M.7
-
37
-
-
23244460838
-
-
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 667 1; 48 (1993) 4978.
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
38
-
-
11644268721
-
-
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 667 1; 48 (1993) 4978.
-
(1993)
Phys. Rev. B
, vol.48
, pp. 4978
-
-
-
40
-
-
0000649832
-
-
R. Krishnan, J.A. Pople, Int. J. Quantum Chem. 14 (1978) 91. R. Krishnan, M.J. Frisch, J.A. Pople, J. Chem. Phys. 72 (1980) 4244.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 4244
-
-
Krishnan, R.1
Frisch, M.J.2
Pople, J.A.3
-
41
-
-
84987058929
-
-
J.A. Pople, R. Seeger, R. Klishnan, Int. J. Quantum Chem. Symp. 77 (1977) 149. J.A. Pople, M. Head-Gordon, K. Raghavacharl, J. Chem. Phys. 87 (1987) 5968.
-
(1977)
Int. J. Quantum Chem. Symp.
, vol.77
, pp. 149
-
-
Pople, J.A.1
Seeger, R.2
Klishnan, R.3
-
42
-
-
0011682081
-
-
J.A. Pople, R. Seeger, R. Klishnan, Int. J. Quantum Chem. Symp. 77 (1977) 149. J.A. Pople, M. Head-Gordon, K. Raghavacharl, J. Chem. Phys. 87 (1987) 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavacharl, K.3
-
43
-
-
0006244148
-
-
K. Raghavachaii, G.W. Trucks, J.A. Pople, M. Head-Gordon, Chem. Phys. Lett. 157 (1989) 479. G.E. Scuseria, Chem. Phys. Lett. 176 (1991) 27.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachaii, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
44
-
-
0001957443
-
-
K. Raghavachaii, G.W. Trucks, J.A. Pople, M. Head-Gordon, Chem. Phys. Lett. 157 (1989) 479. G.E. Scuseria, Chem. Phys. Lett. 176 (1991) 27.
-
(1991)
Chem. Phys. Lett.
, vol.176
, pp. 27
-
-
Scuseria, G.E.1
-
45
-
-
33746614482
-
-
T.H. Dunning, J. Chem. Phys. 90 (1989) 1007. R.A. Kendall, T.H. Dunning, R.J. Hartison, J. Chem. Phys. 96 (1992) 6796. D.E. Woon, T.H. Dunning, J. Chem. Phys. 98 (1993) 1358.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, T.H.1
-
46
-
-
4143095330
-
-
T.H. Dunning, J. Chem. Phys. 90 (1989) 1007. R.A. Kendall, T.H. Dunning, R.J. Hartison, J. Chem. Phys. 96 (1992) 6796. D.E. Woon, T.H. Dunning, J. Chem. Phys. 98 (1993) 1358.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning, T.H.2
Hartison, R.J.3
-
47
-
-
3843146349
-
-
T.H. Dunning, J. Chem. Phys. 90 (1989) 1007. R.A. Kendall, T.H. Dunning, R.J. Hartison, J. Chem. Phys. 96 (1992) 6796. D.E. Woon, T.H. Dunning, J. Chem. Phys. 98 (1993) 1358.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1358
-
-
Woon, D.E.1
Dunning, T.H.2
-
48
-
-
0344571194
-
-
Revision B.3, Gaussian, Inc., Pittsburgh, PA
-
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. Raghavachan, M.A. Al-Laham, V.G. Zakrzewsid, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Repogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binidey, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, Revision B.3, Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian
, vol.94
-
-
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
Raghavachan, K.11
Al-Laham, M.A.12
Zakrzewsid, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Repogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binidey, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
50
-
-
0040391814
-
-
N.J. Bridge, A.D. Buckingham, Proc. R. Soc. Lond. Ser. A 295 (1966) 334; J. Chem. Phys. 40 (1964) 2733.
-
(1964)
J. Chem. Phys.
, vol.40
, pp. 2733
-
-
-
54
-
-
0030173783
-
-
K.M. Gough, M.M. Yacowar, R.H. Cleve, J.R. Dwyer, Can. J. Chem. 74 (1996) 1139.
-
(1996)
Can. J. Chem.
, vol.74
, pp. 1139
-
-
Gough, K.M.1
Yacowar, M.M.2
Cleve, R.H.3
Dwyer, J.R.4
-
61
-
-
0344139691
-
-
G.H.F. Diercksen, V. Kellö, B.O. Roos, A.J. Sadlej, Chem. Phys. 77 (1983) 93.
-
(1983)
Chem. Phys.
, vol.77
, pp. 93
-
-
Diercksen, G.H.F.1
Kellö, V.2
Roos, B.O.3
Sadlej, A.J.4
-
65
-
-
4243702178
-
-
G.W. Trucks, E.A. Salter, J. Noga, R.J. Bartlett, Chem. Phys. Lett. 150 (1988) 37.
-
(1988)
Chem. Phys. Lett.
, vol.150
, pp. 37
-
-
Trucks, G.W.1
Salter, E.A.2
Noga, J.3
Bartlett, R.J.4
-
68
-
-
0001541367
-
-
C. Blondel, P. Cacciani, C. Delsart, R. Trainham, Phys. Rev. A 40 (1989) 3698.
-
(1989)
Phys. Rev. A
, vol.40
, pp. 3698
-
-
Blondel, C.1
Cacciani, P.2
Delsart, C.3
Trainham, R.4
|