-
1
-
-
0041401966
-
-
L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
2
-
-
0000142072
-
-
For recent reviews, see (a) in edited by S. R. Langhoff Kluwer Academic, Netherlands
-
For recent reviews, see (a) L. A. Curtiss and K. Raghavachari, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Kluwer Academic, Netherlands, 1995), p. 139;
-
(1995)
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
, pp. 139
-
-
Curtiss, L.A.1
Raghavachari, K.2
-
4
-
-
36448999570
-
-
L. A. Curtiss, M. P. McGrath, J.-P. Blaudeau, N. E. Davis, R. C. Binning, Jr., and L. Radom, J. Chem. Phys. 103, 6104 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 6104
-
-
Curtiss, L.A.1
McGrath, M.P.2
Blaudeau, J.-P.3
Davis, N.E.4
Binning Jr., R.C.5
Radom, L.6
-
6
-
-
0001689196
-
-
J.-P. Blaudeau, M. P. McGrath, L. A. Curtiss, and L. Radom, J. Chem. Phys. 107, 5016 (1997).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 5016
-
-
Blaudeau, J.-P.1
McGrath, M.P.2
Curtiss, L.A.3
Radom, L.4
-
7
-
-
36549094943
-
-
(a)
-
(a) J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989);
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622
-
-
Pople, J.A.1
Head-Gordon, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
8
-
-
0000664876
-
-
(b)
-
(b) L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, 93, 2537 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537
-
-
Curtiss, L.A.1
Jones, C.2
Trucks, G.W.3
Raghavachari, K.4
Pople, J.A.5
-
10
-
-
0004797117
-
-
C. A. Richards, Jr., Y. Yamaguchi, S-J. Kim, and H. F. Schaefer III, J. Chem. Phys. 104, 8516 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 8516
-
-
Richards Jr., H.F.1
Yamaguchi, Y.2
Kim, S.J.3
Schaefer III, H.F.4
-
12
-
-
84873055189
-
-
Wiley, New York
-
W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer P, V.R.3
Pople, J.A.4
-
13
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, Pennsylvania
-
GAUSSIAN 94, Revision C.3, 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. J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh, Pennsylvania, 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.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.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
14
-
-
22244473363
-
-
Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida32611
-
ACES II, Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida32611, 1995.
-
(1995)
ACES II
-
-
-
16
-
-
36449002592
-
-
L. A. Curtiss, J. E. Carpenter, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 96, 9030 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 9030
-
-
Curtiss, L.A.1
Carpenter, J.E.2
Raghavachari, K.3
Pople, J.A.4
-
19
-
-
0000856910
-
-
Y. Yamaguchi, Y. Xie, S-J. Kim, and H. F. Schaefer III, J. Chem. Phys. 105, 1951 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1951
-
-
Yamaguchi, Y.1
Xie, Y.2
Kim, S.-J.3
Schaefer III, H.F.4
-
20
-
-
22244487689
-
-
unpublished calculations
-
B. J. Duke (unpublished calculations).
-
-
-
Duke, B.J.1
|