-
15
-
-
0001009608
-
-
C. Bissonette, C. E. Chuaqui, K. G. Crowell, R. J. Le Roy, R. J. Wheatley, and W. J. Meath, J. Chem. Phys. ibid. 105, 2639 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 2639
-
-
Bissonette, C.1
Chuaqui, C.E.2
Crowell, K.G.3
Le Roy, R.J.4
Wheatley, R.J.5
Meath, W.J.6
-
17
-
-
1442294911
-
-
D. Bassi, M. G. Dondi, F. Tommasini, F. Torello, and U. Valbusa, Phys. Rev. A 13, 584 (1976).
-
(1976)
Phys. Rev. A
, vol.13
, pp. 584
-
-
Bassi, D.1
Dondi, M.G.2
Tommasini, F.3
Torello, F.4
Valbusa, U.5
-
21
-
-
0001035973
-
-
D. Feller, E. D. Glendening, E. A. McCullough, Jr., and R. J. Miller, J. Chem. Phys. 99, 2829 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 2829
-
-
Feller, D.1
Glendening, E.D.2
McCullough Jr., E.A.3
Miller, R.J.4
-
27
-
-
0000623049
-
-
S. Foner, E. L. Cochran, V. A. Bowers, and C. K. Jen, J. Chem. Phys. 32, 963 (1960);
-
(1960)
J. Chem. Phys.
, vol.32
, pp. 963
-
-
Foner, S.1
Cochran, E.L.2
Bowers, V.A.3
Jen, C.K.4
-
29
-
-
0000995363
-
-
J. R. Morton, K. F. Preston, S. J. Strach, F. J. Adrian, and A. N. Jette, J. Chem. Phys. ibid. 70, 2889 (1979);
-
(1979)
J. Chem. Phys.
, vol.70
, pp. 2889
-
-
Morton, J.R.1
Preston, K.F.2
Strach, S.J.3
Adrian, F.J.4
Jette, A.N.5
-
31
-
-
0031576950
-
-
K. Komaguchi, T. Kumada, Y. Aratono, and T. Miyazaki, Chem. Phys. Lett. 268, 493 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.268
, pp. 493
-
-
Komaguchi, K.1
Kumada, T.2
Aratono, Y.3
Miyazaki, T.4
-
32
-
-
0000373297
-
-
K. Vaskonen, J. Eloranta, T. Kiljunen, and H. Kunttu, J. Chem. Phys. 110, 2122 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 2122
-
-
Vaskonen, K.1
Eloranta, J.2
Kiljunen, T.3
Kunttu, H.4
-
33
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
36
-
-
84964933682
-
-
Gaussian, Inc., Pittsburgh, PA
-
GAUSSIAN 93, Revision A.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Pelersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Slefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
GAUSSIAN 93, Revision A.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Pelersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Slefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Challacombe, M.48
Gill, P.M.W.49
Johnson, B.50
Chen, W.51
Wong, M.W.52
Andres, J.L.53
Gonzalez, C.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
37
-
-
36849101397
-
-
J. A. Pople, J. W. McIver, Jr., and N. S. Ostlund, J. Chem. Phys. 49, 2960 (1968).
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 2960
-
-
Pople, J.A.1
McIver Jr., J.W.2
Ostlund, N.S.3
-
39
-
-
85034497651
-
-
note
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.
-
-
-
-
40
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
41
-
-
0009803110
-
-
A. Nicklass, M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys. 102, 8942 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 8942
-
-
Nicklass, A.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
43
-
-
0003822640
-
-
Oxford Science Publications, Oxford
-
G. C. Maitland, M. Rigby, E. B. Smith, and W. A. Wakeham, Intermolecular Forces: Their Origin and Determination (Oxford Science Publications, Oxford, 1987).
-
(1987)
Intermolecular Forces: Their Origin and Determination
-
-
Maitland, G.C.1
Rigby, M.2
Smith, E.B.3
Wakeham, W.A.4
-
48
-
-
0003872140
-
-
Oxford University Press, Oxford
-
K. Refson, Moldy User's Manual (Oxford University Press, Oxford, 1998).
-
(1998)
Moldy User's Manual
-
-
Refson, K.1
-
52
-
-
0000269931
-
-
M. Pettersson, J. Lundell, L. Khriachtchev, and M. Räsänen, J. Chem. Phys. 109, 618 (1998), and references therein.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 618
-
-
Pettersson, M.1
Lundell, J.2
Khriachtchev, L.3
Räsänen, M.4
|