-
1
-
-
0038866687
-
-
H. Ratajczak and W. J. Orville-Thomas, Eds. Wiley, New York, Chap. 2
-
O. Tapia, in Molecular Interactions H. Ratajczak and W. J. Orville-Thomas, Eds. (Wiley, New York, 1982), Vol. 3, Chap. 2, p. 47.
-
(1982)
Molecular Interactions
, vol.3
, pp. 47
-
-
Tapia, O.1
-
3
-
-
0002753774
-
-
S. J. Formosinho and I. G. Csizmadia, Eds. Kluwer, Dordrecht
-
J.-L. Rivail, D. Rinaldi, and M. F. Ruiz-López, in Theoretical and Computational Models for Organic Chemistry, S. J. Formosinho and I. G. Csizmadia, Eds. (Kluwer, Dordrecht, 1991), p. 79.
-
(1991)
Theoretical and Computational Models for Organic Chemistry
, pp. 79
-
-
Rivail, J.-L.1
Rinaldi, D.2
Ruiz-López, M.F.3
-
7
-
-
0001172461
-
-
K. Laasonen, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. B 43, 6796 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 6796
-
-
Laasonen, K.1
Car, R.2
Lee, C.3
Vanderbilt, D.4
-
9
-
-
26544447599
-
-
K. Laasonen, M. Sprik, M. Parrinello, and R. Car. J. Chem. Phys. 99, 9080 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 9080
-
-
Laasonen, K.1
Sprik, M.2
Parrinello, M.3
Car, R.4
-
18
-
-
85033869351
-
-
I. Tuñón, M. T. C. Martins-Costa, C. Millot, M. F. Ruiz-López, and J. L. Rivail, J. Comp. Chem. (in press).
-
J. Comp. Chem. (in Press)
-
-
Tuñón, I.1
Martins-Costa, M.T.C.2
Millot, C.3
Ruiz-López, M.F.4
Rivail, J.L.5
-
21
-
-
0003981415
-
-
K. B. Lipkowitz and D. B. Boyd, Eds. (VCH, New York, to be published)
-
J. Gao, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds. (VCH, New York, to be published).
-
Reviews in Computational Chemistry
-
-
Gao, J.1
-
24
-
-
36949017804
-
-
P. Ahlström, A. Wallqvist, S. Engström, and B. Jönsson, Mol. Phys. 68, 563 (1989).
-
(1989)
Mol. Phys.
, vol.68
, pp. 563
-
-
Ahlström, P.1
Wallqvist, A.2
Engström, S.3
Jönsson, B.4
-
26
-
-
0000042113
-
-
L. X. Dang, J. E. Rice, J. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. 113, 2481 (1991).
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2481
-
-
Dang, L.X.1
Rice, J.E.2
Caldwell, J.3
Kollman, P.A.4
-
27
-
-
33751158545
-
-
D. N. Bernardo, Y. Ding, K. Krogh-Jespersen, and R. M. Levy, J. Phys. Chem. 98, 4180 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 4180
-
-
Bernardo, D.N.1
Ding, Y.2
Krogh-Jespersen, K.3
Levy, R.M.4
-
30
-
-
4243460151
-
-
J. G. Ángyán, M. Allavena, M. Picard, A. Potier, and O. Tapia, J. Chem. Phys. 77, 4723 (1982).
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 4723
-
-
Ángyán, J.G.1
Allavena, M.2
Picard, M.3
Potier, A.4
Tapia, O.5
-
32
-
-
2442627560
-
-
G. Jansen, B. A. Heß, C. M. Marian, and J. G. Ángyán, J. Phys. Chem. 97, 10011 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10011
-
-
Jansen, G.1
Heß, B.A.2
Marian, C.M.3
Ángyán, J.G.4
-
34
-
-
84986483831
-
-
A. H. De Vries, P. Th. van Duijjnen A. H. Juffer, J. A. C. Rullman, J. P. Dijkman, H. Merenga, and B. T. Thole, J. Comp. Chem. 16, 37 (1995).
-
(1995)
J. Comp. Chem.
, vol.16
, pp. 37
-
-
De Vries, A.H.1
Van Duijjnen, P.Th.2
Juffer, A.H.3
Rullman, J.A.C.4
Dijkman, J.P.5
Merenga, H.6
Thole, B.T.7
-
37
-
-
0000418831
-
-
J. Bertran, M. F. Ruiz-López, D. Rinaldi, and J.-L. Rivail, Theor. Chim. Acta 84, 181 (1992).
-
(1992)
Theor. Chim. Acta
, vol.84
, pp. 181
-
-
Bertran, J.1
Ruiz-López, M.F.2
Rinaldi, D.3
Rivail, J.-L.4
-
38
-
-
6944254199
-
-
C. Y. Lee, D. Vanderbilt, K. Laasonen, R. Car, and M. Parrinello, Phys. Rev. B 47, 4863 (1993).
-
(1993)
Phys. Rev. B
, vol.47
, pp. 4863
-
-
Lee, C.Y.1
Vanderbilt, D.2
Laasonen, K.3
Car, R.4
Parrinello, M.5
-
39
-
-
5744241042
-
Ultrafast Reaction Dynamics and Solvent Effects
-
Royaumont, France, Y. Gauduel and P. J. Rossky, Eds. AIP Press, New York
-
K. Laasonen, M. Sprik, and M. Parrinello, Ultrafast Reaction Dynamics and Solvent Effects, Royaumont, France, 1993, No. 298, AlP Conference Proceedings, Y. Gauduel and P. J. Rossky, Eds. (AIP Press, New York, 1993), pp. 87-106.
-
(1993)
AlP Conference Proceedings
, vol.1993
, Issue.298
, pp. 87-106
-
-
Laasonen, K.1
Sprik, M.2
Parrinello, M.3
-
43
-
-
0001606028
-
-
R. Eggenberger, S. Gerber, H. Huber, D. Searles, and M. Welker, Mol. Phys. 80, 1177 (1993).
-
(1993)
Mol. Phys.
, vol.80
, pp. 1177
-
-
Eggenberger, R.1
Gerber, S.2
Huber, H.3
Searles, D.4
Welker, M.5
-
44
-
-
0001137355
-
-
R. Eggenberger, S. Gerber, H. Huber, D. Searles, and M. Welker, J. Chem. Phys. 97, 5898 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 5898
-
-
Eggenberger, R.1
Gerber, S.2
Huber, H.3
Searles, D.4
Welker, M.5
-
47
-
-
0003926468
-
-
Z. B. Maksić, Ed. Springer-Verlag, Berlin
-
O. Tapia, in Theoretical Models of Chemical Bonding, Z. B. Maksić, Ed. (Springer-Verlag, Berlin, 1990), Vol. 4.
-
(1990)
Theoretical Models of Chemical Bonding
, vol.4
-
-
Tapia, O.1
-
62
-
-
85033852532
-
-
Nancy, France, May 24-27, F. Bernardi, Ed. (A.I.P. Publications, New York, in press)
-
G. Jansen, J. G. Ángyán, and F. Colonna in First European Conference on Computational Chemistry. Proceedings of an International Meeting, Nancy, France, May 24-27, 1994, F. Bernardi, Ed. (A.I.P. Publications, New York, in press).
-
(1994)
First European Conference on Computational Chemistry. Proceedings of An International Meeting
-
-
Jansen, G.1
Ángyán, J.G.2
Colonna, F.3
-
63
-
-
0028465143
-
-
F. Colonna, L.-H. Jolly, R. A. Poirier, J. G. Ángyán, and G. Jansen, Comp. Phys. Commun. 81, 293 (1994).
-
(1994)
Comp. Phys. Commun.
, vol.81
, pp. 293
-
-
Colonna, F.1
Jolly, L.-H.2
Poirier, R.A.3
Ángyán, J.G.4
Jansen, G.5
-
67
-
-
0002775934
-
-
B. Pullman, Ed. Reidel, Dordrecht
-
H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, and J. Hermans, in Intermolecular Forces, B. Pullman, Ed. (Reidel, Dordrecht, 1981), p. 331.
-
(1981)
Intermolecular Forces
, pp. 331
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
70
-
-
84884501597
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. B. Robb. E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. L. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian 92, Revision D1 (Gaussian, Inc., Pittsburgh, PA, 1992).
-
(1992)
Gaussian 92, Revision D1
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.B.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.L.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
72
-
-
36849096816
-
-
S. A. Clough, Y. Beers, G. P. Klein, and L. S. Rothman, J. Chem. Phys. 59, 2254 (1973).
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 2254
-
-
Clough, S.A.1
Beers, Y.2
Klein, G.P.3
Rothman, L.S.4
-
76
-
-
0000227849
-
-
J. G. Ángyán, G. Jansen, M. Loos, C. Hättig, and B. A. Heß, Chem. Phys. Lett. 219, 267 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.219
, pp. 267
-
-
Ángyán, J.G.1
Jansen, G.2
Loos, M.3
Hättig, C.4
Heß, B.A.5
|