-
1
-
-
9444235498
-
Potentials for the classical simulation of molecular systems: Current and future model intermolecular potentials
-
Computer Simulation in Materials Science, ed.: M. Meyer, V. Pontikis, Kluwer, Dordrecht
-
S. L. Price, Potentials for the classical simulation of molecular systems: current and future model intermolecular potentials, in: Computer Simulation in Materials Science, ed.: M. Meyer, V. Pontikis, NATO ASI Series E, Vol. 205, Kluwer, Dordrecht (1991) 183.
-
(1991)
NATO ASI Series E
, vol.205
, pp. 183
-
-
Price, S.L.1
-
2
-
-
0001100031
-
Transition-metal atoms and dimers
-
ed.: K. P. Lawley, Wiley, New York
-
D. R. Salahub, Transition-metal atoms and dimers, in: Advances in Chemical Physics, Vol. LXIX, ed.: K. P. Lawley, Wiley, New York (1987) 447.
-
(1987)
Advances in Chemical Physics
, vol.69
, pp. 447
-
-
Salahub, D.R.1
-
9
-
-
0000125634
-
-
S. P. Walch, C. W. Bauschlicher, B. O. Ross, C. J. Nelin, Chem. Phys. Lett., 103 (1983) 175.
-
(1983)
Chem. Phys. Lett.
, vol.103
, pp. 175
-
-
Walch, S.P.1
Bauschlicher, C.W.2
Ross, B.O.3
Nelin, C.J.4
-
10
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh
-
Gaussian 94 (Revision A.1), M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, C. Y. Peng, P. Y. Ayala, 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. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian Inc., Pittsburgh 1995.
-
(1995)
Gaussian 94 (Revision A.1)
-
-
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.A.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
Peng, C.Y.16
Ayala, P.Y.17
Wong, M.W.18
Andres, J.L.19
Replogle, E.S.20
Gomperts, R.21
Martin, R.L.22
Fox, D.J.23
Binkley, J.S.24
Defrees, D.J.25
Baker, J.26
Stewart, J.P.27
Head-Gordon, M.28
Gonzalez, C.29
Pople, J.A.30
more..
-
14
-
-
0038596731
-
-
B. Miehlich, A. Sawin, H. Stoll, H. Preuss, Chem. Phys. Lett., 157 (1989) 200.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Sawin, A.2
Stoll, H.3
Preuss, H.4
-
15
-
-
0001869942
-
-
ed.: H. F. Schaeffer, Plenum Press, New York
-
T. H. Dunning, Jr., P. J. Hay, in: Modern Theoretical Chemistry, Vol. III, ed.: H. F. Schaeffer, Plenum Press, New York (1976) 1-28.
-
(1976)
Modern Theoretical Chemistry
, vol.3
, pp. 1-28
-
-
Dunning T.H., Jr.1
Hay, P.J.2
-
20
-
-
0001171469
-
-
J. O. Noell, M. D. Newton, P. J. Hay, R. L. Martin, F. W. Bobrowicz, J. Chem. Phys., 73 (1980) 2360.
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 2360
-
-
Noell, J.O.1
Newton, M.D.2
Hay, P.J.3
Martin, R.L.4
Bobrowicz, F.W.5
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