-
5
-
-
0000632707
-
-
Bagus, P. S., and Pacchioni, G., 1990 Surface Sci., 236, 233.
-
(1990)
Surface Sci.
, vol.236
, pp. 233
-
-
Bagus, P.S.1
Pacchioni, G.2
-
6
-
-
0001338746
-
-
Duran, M., Andrés, J. L., Lledós, A., and Bertrán, J., 1989, J. chem. Phys., 90, 328.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 328
-
-
Duran, M.1
Andrés, J.L.2
Lledós, A.3
Bertrán, J.4
-
7
-
-
9044220004
-
-
Andrés, J. L., Duran, M., Lledós, A., and Bertrán, J., 1991, Chem. Phys., 151, 37.
-
(1991)
Chem. Phys.
, vol.151
, pp. 37
-
-
Andrés, J.L.1
Duran, M.2
Lledós, A.3
Bertrán, J.4
-
8
-
-
0000551512
-
-
Andrés, J. L., Martí, J., Duran, M., Lledós, A., and Bertrán, J., 1991, J. chem. Phys., 95, 3521.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 3521
-
-
Andrés, J.L.1
Martí, J.2
Duran, M.3
Lledós, A.4
Bertrán, J.5
-
9
-
-
84986478016
-
-
Martí, J., Lledós, A., Bertrán J., and Duran, M., 1992, J. comput. Chem., 13, 821.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 821
-
-
Martí, J.1
Lledós, A.2
Bertrán, J.3
Duran, M.4
-
10
-
-
0001023681
-
-
Hush, N. S., and Reimers, J. R., 1995, J. phys. Chem., 99, 15798.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 15798
-
-
Hush, N.S.1
Reimers, J.R.2
-
11
-
-
14744273223
-
-
Ashley, K., and Pons, S., 1988, Chem. Rev., 88, 673.
-
(1988)
Chem. Rev.
, vol.88
, pp. 673
-
-
Ashley, K.1
Pons, S.2
-
12
-
-
0001422696
-
-
Cohen de Lara, E., Kahn, R., and Seloudoux, R., 1985, J. chem. Phys., 83, 2646.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 2646
-
-
Cohen De Lara, E.1
Kahn, R.2
Seloudoux, R.3
-
13
-
-
0001505081
-
-
Kahn, R., Cohen de Lara, E., and Möller, D., 1985, J. chem. Phys., 83, 2653.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 2653
-
-
Kahn, R.1
Cohen De Lara, E.2
Möller, D.3
-
20
-
-
0001559777
-
-
Hermansson, K., and Tepper, H., 1996, Molec. Phys., 89, 1291.
-
(1996)
Molec. Phys.
, vol.89
, pp. 1291
-
-
Hermansson, K.1
Tepper, H.2
-
21
-
-
36449008881
-
-
note
-
Luis, J. M., Martí, J., Duran, M., and Andrés, J. L. 1995, J. chem. Phys., 102, 7573; the vibrational contribution formulae for α and β in this reference are only approximate; for diatomics, these formulae are complete in [22].
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7573
-
-
Luis, J.M.1
Martí, J.2
Duran, M.3
Andrés, J.L.4
-
22
-
-
0031212240
-
-
Luis, J. M., Duran, M., and Andrés, J. L., 1997, J. chem. Phys., 107, 1501.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 1501
-
-
Luis, J.M.1
Duran, M.2
Andrés, J.L.3
-
23
-
-
0001051701
-
-
Bishop, D. M., Luis, J. M., Kirtman, B., 1998, J. chem. Phys., 108, 10013.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 10013
-
-
Bishop, D.M.1
Luis, J.M.2
Kirtman, B.3
-
24
-
-
36449006053
-
-
erratum, 1993, J. chem. Phys., 99, 4875.
-
Bishop, D. M., 1993, J. chem. Phys., 98, 3179; erratum, 1993, J. chem. Phys., 99, 4875.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 3179
-
-
Bishop, D.M.1
-
25
-
-
0001488825
-
-
Martí, J., and Bishop, D. M., 1993, J. chem. Phys., 99, 3860.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 3860
-
-
Martí, J.1
Bishop, D.M.2
-
26
-
-
84871008794
-
-
(Pittsburgh, PA: Gaussian, Inc.)
-
Frish, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G., Robb, M. A., Cheeseman, J. R., Keith, T., Peterson, G. A., Montgomery, J. A., Raghavachari, K., Al-Laham, M. A., Zakrzewski, V. G., Ortiz, J. V., Foresman, J. B., Peng, C. Y., Ayala, P. Y., Chen, W., Wong, M. W., Andrés, J. L., Replogle, E. S., Gomperts, R., Martin, R. L., Fox, D. J., Binkley, J. S., Defrees, D. J., Baker, J., Stewart, J., Head-Gordon, M., González, C., and Pople, J. A., 1995, Gaussian 94 (Pittsburgh, PA: Gaussian, Inc.)
-
(1995)
Gaussian 94
-
-
Frish, 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.8
Peterson, 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
Chen, W.18
Wong, M.W.19
Andrés, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.28
Head-Gordon, M.29
González, C.30
Pople, J.A.31
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