-
1
-
-
0003764465
-
-
Wiley, New York
-
B. Douglas, D. H. McDaniel, and J. J. Alexander, Concepts and Models of Inorganic Chemistry, 2nd ed. (Wiley, New York, 1983).
-
(1983)
Concepts and Models of Inorganic Chemistry, 2nd Ed.
-
-
Douglas, B.1
McDaniel, D.H.2
Alexander, J.J.3
-
5
-
-
0009662961
-
-
H.-J. Freund, B. Bartos, R. P. Messmer, M. Grunze, H. Kuhlenbeck, and M. Neumann, Surf. Sci. 185, 187 (1987).
-
(1987)
Surf. Sci.
, vol.185
, pp. 187
-
-
Freund, H.-J.1
Bartos, B.2
Messmer, R.P.3
Grunze, M.4
Kuhlenbeck, H.5
Neumann, M.6
-
14
-
-
0003699557
-
-
edited by D. Salahub Kluwer Academic, Dordrecht
-
U. Wahlgren and P. E. M. Siegbahn, in Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces, edited by D. Salahub (Kluwer Academic, Dordrecht, 1991).
-
(1991)
Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces
-
-
Wahlgren, U.1
Siegbahn, P.E.M.2
-
16
-
-
0002000577
-
-
edited by J. Labanowski and J. Andzelm Springer, New York
-
D. R. Salahub, R. Fournier, P. Mlynarski, I. Papai, A. St-Amant, and J. Ushio, in Density Functional Methods in Chemistry, edited by J. Labanowski and J. Andzelm (Springer, New York, 1991), p. 77; A. St-Amant, Ph.D. thesis, Université de Montréal, 1992. The present version of the program has been substantially modified by L. G. M. Pettersson.
-
(1991)
Density Functional Methods in Chemistry
, pp. 77
-
-
Salahub, D.R.1
Fournier, R.2
Mlynarski, P.3
Papai, I.4
St-Amant, A.5
Ushio, J.6
-
17
-
-
85034297207
-
-
Ph.D. thesis, Université de Montréal
-
D. R. Salahub, R. Fournier, P. Mlynarski, I. Papai, A. St-Amant, and J. Ushio, in Density Functional Methods in Chemistry, edited by J. Labanowski and J. Andzelm (Springer, New York, 1991), p. 77; A. St-Amant, Ph.D. thesis, Université de Montréal, 1992. The present version of the program has been substantially modified by L. G. M. Pettersson.
-
(1992)
-
-
St-Amant, A.1
-
19
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, Pennsylvania
-
GAUSSIAN 94, Revision A.I, 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, J. Cioslowski, B. R. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, 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. Gonzales, and J. A. Pople, Gaussian, Inc., Pittsburgh, Pennsylvania, 1995.
-
(1995)
GAUSSIAN 94, Revision A.I
-
-
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
Cioslowski, J.16
Stefanov, B.R.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzales, C.34
Pople, J.A.35
more..
-
20
-
-
4243553426
-
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988); J. Chem. Phys. 98, 1372, 5648 (1993).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
21
-
-
34250817103
-
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988); J. Chem. Phys. 98, 1372, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
-
23
-
-
26844534384
-
-
R. Krishnan, J. S. Binkely, R. Seeger, and J. A. People, J. Chem. Phys. 72, 650 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkely, J.S.2
Seeger, R.3
People, J.A.4
-
24
-
-
0013253379
-
-
N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 95, 4317 (1992).
-
(1992)
Can. J. Chem.
, vol.95
, pp. 4317
-
-
Godbout, N.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
-
32
-
-
0039182073
-
-
B. F. Minaev, D. Jonsson, P. Norman, and H. Ågren, Chem. Phys. 194, 19 (1995).
-
(1995)
Chem. Phys.
, vol.194
, pp. 19
-
-
Minaev, B.F.1
Jonsson, D.2
Norman, P.3
Ågren, H.4
-
33
-
-
33751158579
-
-
C. J. Jenks, M. Xi, M. X. Yang, and B. E. Bent, J. Phys. Chem. 98, 2152 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2152
-
-
Jenks, C.J.1
Xi, M.2
Yang, M.X.3
Bent, B.E.4
-
35
-
-
0000833596
-
-
W. T. Tysoe, R. M. Ormerod, R. M. Lambert, G. Zgrablich, and A. Ramirez-Cuesta, J. Phys. Chem. 97, 3365 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 3365
-
-
Tysoe, W.T.1
Ormerod, R.M.2
Lambert, R.M.3
Zgrablich, G.4
Ramirez-Cuesta, A.5
-
37
-
-
0000748227
-
-
G. Held, M. P. Bessent, S. Titmuss, and D. A. King, J. Chem. Phys. 105, 11305 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 11305
-
-
Held, G.1
Bessent, M.P.2
Titmuss, S.3
King, D.A.4
-
38
-
-
0001453925
-
-
A. Nilsson, M. Weinelt, T. Wiell, P. Bennich, O. Karis, N. Wassdahl, J. Stöhr, and M. G. Samant, Phys. Rev. Lett. 78, 2847 (1997).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 2847
-
-
Nilsson, A.1
Weinelt, M.2
Wiell, T.3
Bennich, P.4
Karis, O.5
Wassdahl, N.6
Stöhr, J.7
Samant, M.G.8
-
39
-
-
36449000663
-
-
M. Xi, M. X. Yang, S. K. Jo, B. E. Bent, and P. Stevens, J. Chem. Phys. 101, 9122 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 9122
-
-
Xi, M.1
Yang, M.X.2
Jo, S.K.3
Bent, B.E.4
Stevens, P.5
-
40
-
-
0001435896
-
-
J. R. Lomas, C. J. Baddeley, M. S. Tikhov, and R. M. Lambert, Langmuir 11, 3048 (1995).
-
(1995)
Langmuir
, vol.11
, pp. 3048
-
-
Lomas, J.R.1
Baddeley, C.J.2
Tikhov, M.S.3
Lambert, R.M.4
-
41
-
-
0030582820
-
-
J. R. Lomas, C. J. Baddeley, M. S. Tikhov, and R. M. Lambert, Chem. Phys. Lett. 263, 591 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.263
, pp. 591
-
-
Lomas, J.R.1
Baddeley, C.J.2
Tikhov, M.S.3
Lambert, R.M.4
-
44
-
-
85034303704
-
-
A. Nilsson, N. Wassdahl, M. Weinelt, O. Karis, T. Wiell, P. Bennich, J. Hasselström, A. Fölisch, J. Stöhr, and M. Samant (to be published)
-
A. Nilsson, N. Wassdahl, M. Weinelt, O. Karis, T. Wiell, P. Bennich, J. Hasselström, A. Fölisch, J. Stöhr, and M. Samant (to be published).
-
-
-
-
45
-
-
85034294605
-
-
private communication
-
G. Pacchioni (private communication).
-
-
-
Pacchioni, G.1
-
46
-
-
85034283464
-
-
Dr. Sc. thesis, N. N. Semenov Institute of Chemical Physics, Moscow (in Russian)
-
B. F. Minaev, Dr. Sc. thesis, N. N. Semenov Institute of Chemical Physics, Moscow (in Russian), 1983.
-
(1983)
-
-
Minaev, B.F.1
|