-
1
-
-
0037460552
-
-
D. Feller, K. A. Peterson, W. A. de Jong, and D. A. Dixon, J. Chem. Phys. 118, 3510 (2003);
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 3510
-
-
Feller, D.1
Peterson, K.A.2
De Jong, W.A.3
Dixon, D.A.4
-
2
-
-
1842424174
-
-
A. D. Bœse, M. Oren, O. Atasoylu, J. M. L. Martin, M. Kallay, and J. Gauss, J. Chem. Phys. ibid. 120, 4129 (2004);
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 4129
-
-
Bœse, A.D.1
Oren, M.2
Atasoylu, O.3
Martin, J.M.L.4
Kallay, M.5
Gauss, J.6
-
3
-
-
3142718359
-
-
M. S. Schuurman, S. R. Muir, W. D. Allen, and H. F. Schaefer, J. Chem. Phys. ibid. 120, 11586 (2004);
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 11586
-
-
Schuurman, M.S.1
Muir, S.R.2
Allen, W.D.3
Schaefer, H.F.4
-
4
-
-
11044227833
-
-
A. Tajti, P. G. Szalay, A. G. Csaszar, M. Kallay, J. Gauss, E. F. Valeev, B. A. Flowers, J. Vazquez, and J. F. Stanton, J. Chem. Phys. ibid. 121, 11599 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 11599
-
-
Tajti, A.1
Szalay, P.G.2
Csaszar, A.G.3
Kallay, M.4
Gauss, J.5
Valeev, E.F.6
Flowers, B.A.7
Vazquez, J.8
Stanton, J.F.9
-
8
-
-
0040928877
-
-
edited by A. Veillard (D. Redel, Dordrecht)
-
C. W. Bauschlicher, Jr., S. P. Walch, and S. R. Langhoff, in Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry, edited by A. Veillard (D. Redel, Dordrecht, 1986), p. 15.
-
(1986)
Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry
, pp. 15
-
-
Bauschlicher Jr., C.W.1
Walch, S.P.2
Langhoff, S.R.3
-
11
-
-
0000994840
-
-
C. W. Bauschlicher, Jr., S. P. Walch, and H. Partridge, J. Chem. Phys. 76, 1033 (1982);
-
(1982)
J. Chem. Phys.
, vol.76
, pp. 1033
-
-
Bauschlicher Jr., C.W.1
Walch, S.P.2
Partridge, H.3
-
19
-
-
0013491341
-
-
C. W. Bauschlicher, Jr., S. R. Langhoff, and P. R. Taylor, Chem. Phys. Lett. 158, 245 (1989);
-
(1989)
Chem. Phys. Lett.
, vol.158
, pp. 245
-
-
Bauschlicher Jr., C.W.1
Langhoff, S.R.2
Taylor, P.R.3
-
25
-
-
0032222230
-
-
N. Miura, T. Noro, F. Sasaki, and Y. Osanai, Theor. Chem. Acc. 99, 248 (1998);
-
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 248
-
-
Miura, N.1
Noro, T.2
Sasaki, F.3
Osanai, Y.4
-
27
-
-
0035609105
-
-
Y. Osanai, H. Ishikawa, N. Miura, and T. Noro, Theor. Chem. Acc. ibid. 105, 437 (2001);
-
(2001)
Theor. Chem. Acc.
, vol.105
, pp. 437
-
-
Osanai, Y.1
Ishikawa, H.2
Miura, N.3
Noro, T.4
-
29
-
-
23844490530
-
-
B. O. Roos, R. Lindh, P.-Å. Malmqvist, V. Veryazov, and P.-O. Widmark, J. Phys. Chem. A 109, 6575 (2005).
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 6575
-
-
Roos, B.O.1
Lindh, R.2
Malmqvist, P.-Å.3
Veryazov, V.4
Widmark, P.-O.5
-
31
-
-
0001314133
-
-
C. W. Bauschlicher, Jr., P. Siegbahn, and L. G. M. Pettersson, Theor. Chim. Acta 74, 479 (1988);
-
(1988)
Theor. Chim. Acta
, vol.74
, pp. 479
-
-
Bauschlicher Jr., C.W.1
Siegbahn, P.2
Pettersson, L.G.M.3
-
35
-
-
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
-
36
-
-
0032502389
-
-
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 286, 243 (1998);
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
-
37
-
-
0000724478
-
-
T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 106, 9639 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
39
-
-
0031285746
-
-
T. Koga, H. Aoki, J. M. Garcia de la Vega, and H. Tatewaki, Theor. Chem. Acc. 96, 248 (1997).
-
(1997)
Theor. Chem. Acc.
, vol.96
, pp. 248
-
-
Koga, T.1
Aoki, H.2
Garcia De La Vega, J.M.3
Tatewaki, H.4
-
42
-
-
0006244148
-
-
K. Raghavachari, G. W. Tracks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989);
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Tracks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
46
-
-
33747615553
-
-
a package of ab initio programs
-
H.-J. Werner, P. J. Knowles, R. Lindh, et al., MOLPRO, Version 2006.1, a package of ab initio programs, see http://www.molpro.net
-
MOLPRO, Version 2006.1
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
-
49
-
-
0001676581
-
-
J. Chem. Phys. 97, 4282 (1992);
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 4282
-
-
-
54
-
-
33747779290
-
-
a string-based quantum chemical program suite
-
M. Kállay, MRCC, a string-based quantum chemical program suite;
-
MRCC
-
-
Kállay, M.1
-
56
-
-
84858934668
-
-
http://www.mrcc.hu
-
-
-
|