-
4
-
-
85024045118
-
-
Bündgen, P., Green, F., and Thakker, A. J., 1995. J. molec. Struct., 334:7
-
(1995)
J. molec. Struct.
, vol.334
, pp. 7
-
-
Bündgen, P.1
Green, F.2
Thakker, A.J.3
-
6
-
-
84946288878
-
-
Buckingham, A. D., Graham, C., and Williams, J. H., 1983. Molec. Phys., 49:703
-
(1983)
Molec. Phys.
, vol.49
, pp. 703
-
-
Buckingham, A.D.1
Graham, C.2
Williams, J.H.3
-
7
-
-
84990642394
-
-
Shepard, R., Shavitt, I., Pitzer, R. M., Comeau, D. C., Pepper, M., Lischka, H., Szalay, P. G., Ahlrichs, R., Brown, F. B., and Zhao, J. G., 1988. Int. J. Quantum Chem. Symp., 22:149
-
(1988)
Int. J. Quantum Chem. Symp.
, vol.22
, pp. 149
-
-
Shepard, R.1
Shavitt, I.2
Pitzer, R.M.3
Comeau, D.C.4
Pepper, M.5
Lischka, H.6
Szalay, P.G.7
Ahlrichs, R.8
Brown, F.B.9
Zhao, J.G.10
-
8
-
-
0003394271
-
-
Werner, H. J., Knowles, P. J., Almof, J., Amos, R. D., Deegan, M. J. O., Elbert, S. T., Hampel, C., Meyer, W., Peterson, K., Pitzer, R., Stone, A. J., Taylor, P. R., Lindh, R., Mura, M. E., and Thorsteinsson, T., Molpro, a package of ab initio programs
-
Molpro, a package of ab initio programs
-
-
Werner, H.J.1
Knowles, P.J.2
Almof, J.3
Amos, R.D.4
Deegan, M.J.O.5
Elbert, S.T.6
Hampel, C.7
Meyer, W.8
Peterson, K.9
Pitzer, R.10
Stone, A.J.11
Taylor, P.R.12
Lindh, R.13
Mura, M.E.14
Thorsteinsson, T.15
-
9
-
-
78649614103
-
-
developed and distributed by theMolecular ScienceComputingFacility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0 developed and distributed by theMolecular ScienceComputingFacility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0
-
-
-
10
-
-
33746614482
-
-
Kendall, R. A., Dunning, Jr., T. H., and Harrison, R. J., 1992, J. chem. Phys., 96, 6796; Peterson, K. A., Kendall, R. A., and Dunning, Jr., T. H., 1993, J. chem. Phys., 99, 9790; Woon, D. E., and Dunning, Jr., T. H., 1993, J. chem. Phys., 98, 1358; Woon, D. E., and Dunning, Jr., T. H., 1994, J. chem. Phys., 100, 2975
-
Dunning, T. H., Jr. 1989. J. chem. Phys., 90:1007 Kendall, R. A., Dunning, Jr., T. H., and Harrison, R. J., 1992, J. chem. Phys., 96, 6796; Peterson, K. A., Kendall, R. A., and Dunning, Jr., T. H., 1993, J. chem. Phys., 99, 9790; Woon, D. E., and Dunning, Jr., T. H., 1993, J. chem. Phys., 98, 1358; Woon, D. E., and Dunning, Jr., T. H., 1994, J. chem. Phys., 100, 2975
-
(1989)
J. chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, T.H.1
-
11
-
-
0001414751
-
-
Pyykkö, P., Diercksen, G. H. F., Müller-Plathe, F., and Laaksonen, L., 1987. Chem. Phys. Lett., 134:575
-
(1987)
Chem. Phys. Lett.
, vol.134
, pp. 575
-
-
Pyykkö, P.1
Diercksen, G.H.F.2
Müller-Plathe, F.3
Laaksonen, L.4
-
12
-
-
85024008414
-
-
Glasser, R., Horan, C. J., and Haney, P. E., 1993. J. phys. Chem., 97:1835
-
(1993)
J. phys. Chem.
, vol.97
, pp. 1835
-
-
Glasser, R.1
Horan, C.J.2
Haney, P.E.3
-
18
-
-
0003919078
-
-
New York: Van Nostrand Reinhold
-
Huber, K. P., and Herzberg, G., 1979. Molecular Spectra and Molecular Structure, Constants of Diatomic Molecules, Vol. IV, New York:Van Nostrand Reinhold.
-
(1979)
Molecular Spectra and Molecular Structure, Constants of Diatomic Molecules
, vol.4
-
-
Huber, K.P.1
Herzberg, G.2
-
23
-
-
84986431180
-
-
Andzelm, J., Klobukowski, M., and Radzio-Andzelm, E., 1984. J. comput. Chem., 5:146
-
(1984)
J. comput. Chem.
, vol.5
, pp. 146
-
-
Andzelm, J.1
Klobukowski, M.2
Radzio-Andzelm, E.3
|