-
1
-
-
0001935181
-
-
Lee, T. J., Rice, J. E., Scuseria, G. E., and Schaefer, H. F., 1989. Theor. Chim. Acta., 75:81
-
(1989)
Theor. Chim. Acta.
, vol.75
, pp. 81
-
-
Lee, T.J.1
Rice, J.E.2
Scuseria, G.E.3
Schaefer, H.F.4
-
2
-
-
0006244148
-
-
Raghavachari, K., Trucks, G. W., Pople, J. A., and Head-Gordon, M., 1989. Chem. Phys. Lett., 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
-
3
-
-
0002560360
-
-
Langhoff S.R., (ed), Dordrecht: Kluwer
-
Lee, T. J., and Scuseria, G. E., 1995. Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Edited by:Langhoff, S. R., 47–108. Dordrecht:Kluwer.
-
(1995)
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
, pp. 47-108
-
-
Lee, T.J.1
Scuseria, G.E.2
-
6
-
-
0001383506
-
-
Lee, T. J., Bauschlicher, C. W., Dateo, C. E., and Rice, J. E., 1994. Chem. Phys. Lett., 228:583
-
(1994)
Chem. Phys. Lett.
, vol.228
, pp. 583
-
-
Lee, T.J.1
Bauschlicher, C.W.2
Dateo, C.E.3
Rice, J.E.4
-
8
-
-
0011682081
-
-
Pople, J. A., Head-Gordon, M., and Raghavachari, K., 1987. J. chem. Phys., 87:5968
-
(1987)
J. chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
13
-
-
85024084614
-
-
Glukhovtsev, M. N., Pross, A., and Radom, L., 1996. J. phys. Chem., in press
-
(1996)
J. phys. Chem.
-
-
Glukhovtsev, M.N.1
Pross, A.2
Radom, L.3
-
27
-
-
84944160110
-
-
Lee, T. J., Rendell, A. P., and Rice, J. E., TITAN, a set of electronic structure programs
-
TITAN, a set of electronic structure programs
-
-
Lee, T.J.1
Rendell, A.P.2
Rice, J.E.3
-
28
-
-
0000226853
-
-
Lindh, R., Ryu, U., and Liu, B., 1991. J. chem. Phys., 95:5889
-
(1991)
J. chem. Phys.
, vol.95
, pp. 5889
-
-
Lindh, R.1
Ryu, U.2
Liu, B.3
-
29
-
-
84902879123
-
-
Almlöf, J., Bauschlicher, C. W., Blomberg, M. R. A., Chong, D. P., Heiberg, A., Langhoff, S. R., Malmqvist, P.-Å., Rendell, A. P., Roos, B. O., Siegbahn, P. E. M., and Taylor, P. R., SWEDEN, an electronic structure program system
-
SWEDEN, an electronic structure program system
-
-
Almlöf, J.1
Bauschlicher, C.W.2
Blomberg, M.R.A.3
Chong, D.P.4
Heiberg, A.5
Langhoff, S.R.6
Malmqvist, P.-Å.7
Rendell, A.P.8
Roos, B.O.9
Siegbahn, P.E.M.10
Taylor, P.R.11
-
30
-
-
0013051491
-
-
San Jose, CA 95120-6099, USA: Almaden Research Center, IBM Research Division, 650 Harry Road
-
Rice, J. E., Horn, H., Lengsfield, B. H., McLean, A. D., Carter, J. T., Replogle, E. S., Barnes, L. A., Maluendes, S. A., Lie, G. C., Gutowski, M., Rudge, W. E., Sauer, P. A., Lindh, R., Andersson, K., Chevalier, T. S., Wid mark, P.-O., Bouzida, D., Pacansky, G., Singh, K., Gillan, C. J., Carnevali, P., Swope, W. C., and Liu, B., Mulliken:a computational quantum chemistry program, San Jose, CA 95120-6099, USA:Almaden Research Center, IBM Research Division, 650 Harry Road.
-
Mulliken : A computational quantum chemistry program
-
-
Rice, J.E.1
Horn, H.2
Lengsfield, B.H.3
McLean, A.D.4
Carter, J.T.5
Replogle, E.S.6
Barnes, L.A.7
Maluendes, S.A.8
Lie, G.C.9
Gutowski, M.10
Rudge, W.E.11
Sauer, P.A.12
Lindh, R.13
Andersson, K.14
Chevalier, T.S.15
Wid mark, P.-O.16
Bouzida, D.17
Pacansky, G.18
Singh, K.19
Gillan, C.J.20
Carnevali, P.21
Swope, W.C.22
Liu, B.23
more..
-
32
-
-
0038411829
-
-
program Mulliken a slightly modified version of the B3LYP functional is implemented; in Mulliken the local correlation functional of Vosko, S. H., Wilk, L., and Nusair, M., 1980, Can. J. Phys., 58, 1200 is replaced by the functional from Perdew, J. P., and Wang, Y., 1992, Phys. Rev. B, 45, 13244
-
Stevens, P. J., Devlin, F. J., Chablowski, C. F., and Frisch, M. J., 1994. J. phys. Chem., 98:11623 In the program Mulliken a slightly modified version of the B3LYP functional is implemented; in Mulliken the local correlation functional of Vosko, S. H., Wilk, L., and Nusair, M., 1980, Can. J. Phys., 58, 1200 is replaced by the functional from Perdew, J. P., and Wang, Y., 1992, Phys. Rev. B, 45, 13244
-
(1994)
J. phys. Chem.
, vol.98
, pp. 11623
-
-
Stevens, P.J.1
Devlin, F.J.2
Chablowski, C.F.3
Frisch, M.J.4
-
33
-
-
84944179254
-
-
Harmony, M. D., Laurie, V. W., Kuczkowski, R. L., Schwendeman, R. H., Ramsay, D. A., Lovas, F. J., Lafferty, W. J., and Maki, A. G., 1979. J. phys. Chem. Ref. Data, 8:619
-
(1979)
J. phys. Chem. Ref. Data
, vol.8
, pp. 619
-
-
Harmony, M.D.1
Laurie, V.W.2
Kuczkowski, R.L.3
Schwendeman, R.H.4
Ramsay, D.A.5
Lovas, F.J.6
Lafferty, W.J.7
Maki, A.G.8
-
34
-
-
0040430398
-
-
Pierce, L., Jackson, R. H., and DiCianni, N., 1961. J. chem. Phys., 35:2240
-
(1961)
J. chem. Phys.
, vol.35
, pp. 2240
-
-
Pierce, L.1
Jackson, R.H.2
DiCianni, N.3
-
38
-
-
0004727934
-
-
Taubmann, G., Jones, H., Rudolph, H. D., and Takami, M., 1986. J. molec. Spectrosc., 120:90
-
(1986)
J. molec. Spectrosc.
, vol.120
, pp. 90
-
-
Taubmann, G.1
Jones, H.2
Rudolph, H.D.3
Takami, M.4
-
39
-
-
0345617935
-
-
Jones, E. A., Kirby-Smith, J. S., Woltz, P. J. H., and Nielsen, A. H., 1951. J. chem. Phys., 19:337
-
(1951)
J. chem. Phys.
, vol.19
, pp. 337
-
-
Jones, E.A.1
Kirby-Smith, J.S.2
Woltz, P.J.H.3
Nielsen, A.H.4
-
42
-
-
36449005272
-
-
Lee, T. J., Rohlfing, C. M., and Rice, J. E., 1992. J. chem. Phys., 97:6593
-
(1992)
J. chem. Phys.
, vol.97
, pp. 6593
-
-
Lee, T.J.1
Rohlfing, C.M.2
Rice, J.E.3
-
44
-
-
85024003232
-
-
Chase, M. W., Davies, C. A., Downey, J. R., Frurip, D. J., McDonald, R. A., and Syverud, A. N., 1985. J. phys. Chem. Ref. Data, 14 (Suppl. 1)
-
(1985)
J. phys. Chem. Ref. Data
, vol.14
-
-
Chase, M.W.1
Davies, C.A.2
Downey, J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
-
48
-
-
85023972083
-
-
Lias, S. G., Bartmess, J. E., Liebman, J. F., Holmes, J. L., Levin, R. D., and Mallard, W. G., 1988. J. phys. Chem. Ref. Data, 17 (Suppl. 1)
-
(1988)
J. phys. Chem. Ref. Data
, vol.17
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
|