-
1
-
-
10644250257
-
-
P. Hohenberg and W. Kohn, Phys. Rev. B 136 (1964) 864; W. Kohn and L.J. Sham, Phys. Rev. A 140 (1965) 1133.
-
(1964)
Phys. Rev. B
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
2
-
-
0042113153
-
-
P. Hohenberg and W. Kohn, Phys. Rev. B 136 (1964) 864; W. Kohn and L.J. Sham, Phys. Rev. A 140 (1965) 1133.
-
(1965)
Phys. Rev. A
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
3
-
-
0000721485
-
The challenge of d and f electrons, theory and computation
-
Eds. D.R. Salahub and M.C. Zerner
-
A.D. Becke, in: The Challenge of d and f Electrons, Theory and Computation, Eds. D.R. Salahub and M.C. Zerner, ACS Symp. Ser. 394 (1989) p. 165.
-
(1989)
ACS Symp. Ser.
, vol.394
, pp. 165
-
-
Becke, A.D.1
-
10
-
-
0003231406
-
Cluster models for surface and bulk phenomena
-
Plenum, New York
-
G. Pacchioni, P.S. Bagus and F. Parmigiani, Eds., Cluster Models for Surface and Bulk Phenomena, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992).
-
(1992)
NATO ASI Ser.
, vol.283
-
-
Pacchioni, G.1
Bagus, P.S.2
Parmigiani, F.3
-
12
-
-
0003631340
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
E.J. Baerends, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 189.
-
(1992)
NATO ASI Ser.
, vol.283
, pp. 189
-
-
Baerends, E.J.1
-
21
-
-
0042253311
-
-
Berlin (West), Verlag Chemie, Weinheim
-
R.A. van Santen in: Proc. 8th Int. Congr. on Catalysis, Berlin (West), Vol. IV (Verlag Chemie, Weinheim, 1984) p. 97; R.A. van Santen, J. Chem. Phys. 83 (1985) 6039.
-
(1984)
Proc. 8th Int. Congr. on Catalysis
, vol.4
, pp. 97
-
-
Van Santen, R.A.1
-
22
-
-
0042253312
-
-
R.A. van Santen in: Proc. 8th Int. Congr. on Catalysis, Berlin (West), Vol. IV (Verlag Chemie, Weinheim, 1984) p. 97; R.A. van Santen, J. Chem. Phys. 83 (1985) 6039.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 6039
-
-
Van Santen, R.A.1
-
33
-
-
35949018705
-
-
FLAPW calculational methods are described in E. Wimmer, H. Krakauer, M. Weinert and A.J. Freeman, Phys. Rev. B 24 (1981) 864 and M. Weinert, E. Wimmer and A.J. Freeman, Phys, Rev. B 26 (1982) 4571, and references therein.
-
(1981)
Phys. Rev. B
, vol.24
, pp. 864
-
-
Wimmer, E.1
Krakauer, H.2
Weinert, M.3
Freeman, A.J.4
-
34
-
-
26544480072
-
-
and references therein.
-
FLAPW calculational methods are described in E. Wimmer, H. Krakauer, M. Weinert and A.J. Freeman, Phys. Rev. B 24 (1981) 864 and M. Weinert, E. Wimmer and A.J. Freeman, Phys, Rev. B 26 (1982) 4571, and references therein.
-
(1982)
Phys, Rev. B
, vol.26
, pp. 4571
-
-
Weinert, M.1
Wimmer, E.2
Freeman, A.J.3
-
36
-
-
0001491940
-
-
D.R. Hamann and P.J. Feibelman, Phys. Rev. B 37 (1988) 3847; P.J. Feibelman, Phys. Rev. B 43 (1991) 9452.
-
(1991)
Phys. Rev. B
, vol.43
, pp. 9452
-
-
Feibelman, P.J.1
-
37
-
-
0028277031
-
-
P.J. Feibelman, J.E. Houston, H.L. Davis and D.G. O'Neill, Surf. Sci. 302 (1994) 81; P.J. Feibelman, J.S. Nelson and G.L. Kellogg, Phys. Rev. B 49 (1994) 10548; P.J. Feibelman, Phys. Rev. B 49 (1994) 14632.
-
(1994)
Surf. Sci.
, vol.302
, pp. 81
-
-
Feibelman, P.J.1
Houston, J.E.2
Davis, H.L.3
O'Neill, D.G.4
-
38
-
-
0001069304
-
-
P.J. Feibelman, J.E. Houston, H.L. Davis and D.G. O'Neill, Surf. Sci. 302 (1994) 81; P.J. Feibelman, J.S. Nelson and G.L. Kellogg, Phys. Rev. B 49 (1994) 10548; P.J. Feibelman, Phys. Rev. B 49 (1994) 14632.
-
(1994)
Phys. Rev. B
, vol.49
, pp. 10548
-
-
Feibelman, P.J.1
Nelson, J.S.2
Kellogg, G.L.3
-
39
-
-
0006406647
-
-
P.J. Feibelman, J.E. Houston, H.L. Davis and D.G. O'Neill, Surf. Sci. 302 (1994) 81; P.J. Feibelman, J.S. Nelson and G.L. Kellogg, Phys. Rev. B 49 (1994) 10548; P.J. Feibelman, Phys. Rev. B 49 (1994) 14632.
-
(1994)
Phys. Rev. B
, vol.49
, pp. 14632
-
-
Feibelman, P.J.1
-
42
-
-
24844469558
-
-
J.K. Nørskov, Phys. Rev. B 26 (1982) 2875; U. Nielsen, D. Halstead, S. Holloway and J.K. Nørskov, J. Chem. Phys. 93 (1990) 2897.
-
(1982)
Phys. Rev. B
, vol.26
, pp. 2875
-
-
Nørskov, J.K.1
-
43
-
-
24844469558
-
-
J.K. Nørskov, Phys. Rev. B 26 (1982) 2875; U. Nielsen, D. Halstead, S. Holloway and J.K. Nørskov, J. Chem. Phys. 93 (1990) 2897.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2897
-
-
Nielsen, U.1
Halstead, D.2
Holloway, S.3
Nørskov, J.K.4
-
44
-
-
4244024430
-
-
M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1985) 1285; Phys. B 29 (1984) 6443; M.S. Daw, Phys. Rev. B 39 (1989) 7441.
-
(1985)
Phys. Rev. Lett.
, vol.50
, pp. 1285
-
-
Daw, M.S.1
Baskes, M.I.2
-
45
-
-
4244024430
-
-
M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1985) 1285; Phys. B 29 (1984) 6443; M.S. Daw, Phys. Rev. B 39 (1989) 7441.
-
(1984)
Phys. B
, vol.29
, pp. 6443
-
-
-
46
-
-
30244480052
-
-
M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1985) 1285; Phys. B 29 (1984) 6443; M.S. Daw, Phys. Rev. B 39 (1989) 7441.
-
(1989)
Phys. Rev. B
, vol.39
, pp. 7441
-
-
Daw, M.S.1
-
49
-
-
0346748936
-
-
J.P. Kress and A.E. DePristo, J. Chem. Phys. 87 (1987) 4700; 88 (1988) 2596.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 2596
-
-
-
56
-
-
0000974024
-
Density functional theory of many-fermion systems
-
Ed. S.B. Trickey
-
B.I. Dunlap and N. Rösch, in: Density Functional Theory of Many-Fermion Systems, Ed. S.B. Trickey, Adv. Quant. Chem. 21 (1990) 317.
-
(1990)
Adv. Quant. Chem.
, vol.21
, pp. 317
-
-
Dunlap, B.I.1
Rösch, N.2
-
58
-
-
0043255767
-
-
Eds. T. Tsuruta, M. Doyama and M. Seno Elsevier, Amsterdam
-
H. Nakatsuji, in: New Functionality Materials, Vol. C, Synthetic Processes and Control of Functionality Materials, Eds. T. Tsuruta, M. Doyama and M. Seno (Elsevier, Amsterdam, 1993).
-
(1993)
New Functionality Materials, Vol. C, Synthetic Processes and Control of Functionality Materials
, vol.100
-
-
Nakatsuji, H.1
-
59
-
-
0000987197
-
-
H. Nakatsuji, J. Chem. Phys. 87 (1987) 4995; H. Nakatsuji, H. Nakai and Y. Fukunishi, J. Chem. Phys. 95 (1991) 640.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 4995
-
-
Nakatsuji, H.1
-
62
-
-
0000068089
-
-
H. Nakatsuji and H. Nakai, Chem. Phys. Lett. 174 (1990) 283; Can. J. Chem. 70 (1992) 404; J. Chem. Phys. 98 (1993) 2423.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 404
-
-
-
63
-
-
33646472487
-
-
H. Nakatsuji and H. Nakai, Chem. Phys. Lett. 174 (1990) 283; Can. J. Chem. 70 (1992) 404; J. Chem. Phys. 98 (1993) 2423.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 2423
-
-
-
64
-
-
0029357124
-
-
H. Nakatsuji, M. Yoshimoto, M. Hada, K. Domen and C. Hirose, Surf. Sci. 336 (1995) 232.
-
(1995)
Surf. Sci.
, vol.336
, pp. 232
-
-
Nakatsuji, H.1
Yoshimoto, M.2
Hada, M.3
Domen, K.4
Hirose, C.5
-
65
-
-
0027610745
-
-
H. Nakatsuji, R. Kuwano, H. Morita and H. Nakai, J. Mol. Catal. 82 (1993) 211; H. Nakatsuji, H. Morita, H. Nakai, Y. Murata and K. Fukutani, J. Chem. Phys., in press.
-
(1993)
J. Mol. Catal.
, vol.82
, pp. 211
-
-
Nakatsuji, H.1
Kuwano, R.2
Morita, H.3
Nakai, H.4
-
66
-
-
0027610745
-
-
in press
-
H. Nakatsuji, R. Kuwano, H. Morita and H. Nakai, J. Mol. Catal. 82 (1993) 211; H. Nakatsuji, H. Morita, H. Nakai, Y. Murata and K. Fukutani, J. Chem. Phys., in press.
-
J. Chem. Phys.
-
-
Nakatsuji, H.1
Morita, H.2
Nakai, H.3
Murata, Y.4
Fukutani, K.5
-
67
-
-
36549103447
-
-
Z. Barandiarán and L. Seijo, J. Chem. Phys. 89 (1988) 5739; Z. Barandiarán and L. Seijo, in: Computational Chemistry: Structure, Interactions and Reactivity, Vol. 77B of Studies in Physical and Theoretical Chemistry, Ed. S. Fraga (Elsevier, Amsterdam, 1992) pp. 435-461.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 5739
-
-
Barandiarán, Z.1
Seijo, L.2
-
68
-
-
0000604486
-
Computational chemistry: Structure, interactions and reactivity
-
Ed. S. Fraga Elsevier, Amsterdam
-
Z. Barandiarán and L. Seijo, J. Chem. Phys. 89 (1988) 5739; Z. Barandiarán and L. Seijo, in: Computational Chemistry: Structure, Interactions and Reactivity, Vol. 77B of Studies in Physical and Theoretical Chemistry, Ed. S. Fraga (Elsevier, Amsterdam, 1992) pp. 435-461.
-
(1992)
Studies in Physical and Theoretical Chemistry
, vol.77 B
, pp. 435-461
-
-
Barandiarán, Z.1
Seijo, L.2
-
69
-
-
0000188793
-
-
R. McWeeny, Proc. R. Soc. London, Ser. A 253 (1959) 242; Rev. Mod. Phys. 32 (1960) 335; M. Kleiner and R. McWeeny, Chem. Phys. Lett. 19 (1973) 476.
-
(1959)
Proc. R. Soc. London, Ser. A
, vol.253
, pp. 242
-
-
McWeeny, R.1
-
70
-
-
0011407476
-
-
R. McWeeny, Proc. R. Soc. London, Ser. A 253 (1959) 242; Rev. Mod. Phys. 32 (1960) 335; M. Kleiner and R. McWeeny, Chem. Phys. Lett. 19 (1973) 476.
-
(1960)
Rev. Mod. Phys.
, vol.32
, pp. 335
-
-
-
71
-
-
0000631423
-
-
R. McWeeny, Proc. R. Soc. London, Ser. A 253 (1959) 242; Rev. Mod. Phys. 32 (1960) 335; M. Kleiner and R. McWeeny, Chem. Phys. Lett. 19 (1973) 476.
-
(1973)
Chem. Phys. Lett.
, vol.19
, pp. 476
-
-
Kleiner, M.1
McWeeny, R.2
-
73
-
-
0000610770
-
-
S. Huzinaga and A.A. Cantu, J. Chem. Phys. 55 (1971) 5543; S. Huzinaga, D. McWilliams and A.A. Cantu, Adv. Quant. Chem. 7 (1973) 187.
-
(1971)
J. Chem. Phys.
, vol.55
, pp. 5543
-
-
Huzinaga, S.1
Cantu, A.A.2
-
75
-
-
0001387630
-
-
and references to applications to ionic solids contained therein
-
J.L. Pascual and L. Seijo, J. Chem. Phys. 102 (1995) 5368 and references to applications to ionic solids contained therein.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 5368
-
-
Pascual, J.L.1
Seijo, L.2
-
78
-
-
0003231406
-
Cluster models for surface and bulk phenomena
-
Erice, Sicily, 1991, Eds. G. Pacchioni, P. Bagus and F. Parmigiani Plenum, New York
-
Z. Barandiarán and L. Seijo, in: Cluster Models for Surface and Bulk Phenomena, Proc. NATO ASI Ser., Erice, Sicily, 1991, Eds. G. Pacchioni, P. Bagus and F. Parmigiani (Plenum, New York, 1992).
-
(1992)
Proc. NATO ASI Ser.
-
-
Barandiarán, Z.1
Seijo, L.2
-
79
-
-
36549091907
-
-
S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 2132
-
-
Huzinaga, S.1
Seijo, L.2
Barandiarán, Z.3
Klobukowski, M.4
-
80
-
-
0000838002
-
-
S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 7011
-
-
Seijo, L.1
Barandiarán, Z.2
Huzinaga, S.3
-
81
-
-
0000080665
-
-
S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 5843
-
-
Barandiarán, Z.1
Seijo, L.2
Huzinaga, S.3
-
82
-
-
0010909615
-
-
S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4049
-
-
Barandiarán, Z.1
Seijo, L.2
-
84
-
-
0001622741
-
-
J.L. Whitten and T.A. Pakkanen, Phys. Rev. B 21 (1980) 4357; J.L. Whitten, Phys. Rev. B 24 (1981) 1810.
-
(1981)
Phys. Rev. B
, vol.24
, pp. 1810
-
-
Whitten, J.L.1
-
85
-
-
0003631340
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
J.L. Whitten, in : Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser. (Plenum, New York, 1992).
-
(1992)
NATO ASI Ser.
-
-
Whitten, J.L.1
-
86
-
-
0010505803
-
-
and references therein
-
J.L. Whitten, Chem. Phys. 177 (1993) 387, and references therein.
-
(1993)
Chem. Phys.
, vol.177
, pp. 387
-
-
Whitten, J.L.1
-
93
-
-
0000088976
-
-
E. Shustorovich and A.T. Bell, Surf. Sci. 205 (1988) 492; J. Catal. 113 (1988) 341.
-
(1988)
J. Catal.
, vol.113
, pp. 341
-
-
-
94
-
-
0038829400
-
-
Eds. D.D. Eley, H. Pines and P.B. Weisz Academic Press, San Diego, CA
-
E. Shustorovich, in: Advances in Catalysis, Vol. 37, Eds. D.D. Eley, H. Pines and P.B. Weisz (Academic Press, San Diego, CA, 1990) p. 101.
-
(1990)
Advances in Catalysis
, vol.37
, pp. 101
-
-
Shustorovich, E.1
-
95
-
-
0346927956
-
-
R.J. Hoffmann, J. Chem. Phys. 39 (1963) 1397; R.J. Hoffmann, Solids and Surfaces: A Chemist's View of Bonding in Extended Structures (VCH, New York, 1988).
-
(1963)
J. Chem. Phys.
, vol.39
, pp. 1397
-
-
Hoffmann, R.J.1
-
97
-
-
33947094811
-
-
M.-H. Whangbo and R.J. Hoffmann, J. Am. Chem. Soc. 100 (1978) 6093; M.-H. Whangbo, in: Crystal Chemistry and Properties of Materials with Quasi-One Dimensional Structures, Ed. J. Rouxel (Reidel, Dordrecht, 1986) p. 27.
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 6093
-
-
Whangbo, M.-H.1
Hoffmann, R.J.2
-
99
-
-
0003231406
-
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani Plenum, New York
-
A. Poredda, V.A. Lovchikov and K. Jug, in: Cluster Models for Surface and Bulk Phenomena, Vol. 283, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani (Plenum, New York, 1992) p. 641.
-
(1992)
Cluster Models for Surface and Bulk Phenomena
, vol.283
, pp. 641
-
-
Poredda, A.1
Lovchikov, V.A.2
Jug, K.3
-
104
-
-
33748609840
-
-
Ed. Z.B. Maksic Springer, Berlin
-
R.A. van Santen and E.J. Baerends, in: Theoretical Treatment of Large Molecules and their Interactions, Part 4, Ed. Z.B. Maksic (Springer, Berlin, 1991) pp. 323-390.
-
(1991)
Theoretical Treatment of Large Molecules and Their Interactions
, Issue.4 PART
, pp. 323-390
-
-
Van Santen, R.A.1
Baerends, E.J.2
-
105
-
-
0024716562
-
-
A.B. Anderson and S.J. Choe, J. Phys. Chem. 93 (1989) 6145; A.B. Anderson and J.J. Maloney, J. Phys. Chem. 92 (1988) 809; A.B. Anderson, J. Chem. Phys. 62 (1975) 1187.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 6145
-
-
Anderson, A.B.1
Choe, S.J.2
-
106
-
-
33845278452
-
-
A.B. Anderson and S.J. Choe, J. Phys. Chem. 93 (1989) 6145; A.B. Anderson and J.J. Maloney, J. Phys. Chem. 92 (1988) 809; A.B. Anderson, J. Chem. Phys. 62 (1975) 1187.
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 809
-
-
Anderson, A.B.1
Maloney, J.J.2
-
107
-
-
36749104686
-
-
A.B. Anderson and S.J. Choe, J. Phys. Chem. 93 (1989) 6145; A.B. Anderson and J.J. Maloney, J. Phys. Chem. 92 (1988) 809; A.B. Anderson, J. Chem. Phys. 62 (1975) 1187.
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 1187
-
-
Anderson, A.B.1
-
109
-
-
0009604156
-
-
Eds. P. Jena, B.K. Rao and S.N. Khanna Plenum, New York
-
I. Shim and K.A. Gingerich, in: Physics and Chemistry of Small Clusters, Eds. P. Jena, B.K. Rao and S.N. Khanna (Plenum, New York, 1987) p. 523.
-
(1987)
Physics and Chemistry of Small Clusters
, pp. 523
-
-
Shim, I.1
Gingerich, K.A.2
-
115
-
-
0028158857
-
-
F.M. Mulder, T.A. Stegink, R.C. Thiel, L.J. deJongh and G. Schmid, Nature 367 (1994) 716.
-
(1994)
Nature
, vol.367
, pp. 716
-
-
Mulder, F.M.1
Stegink, T.A.2
Thiel, R.C.3
DeJongh, L.J.4
Schmid, G.5
-
117
-
-
0009690108
-
-
A. Hans, I. Panas, L.G.M. Pettersson, P. Siegbahn and U. Wahlgren, J. Phys. Chem. 94 (1990) 5471.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5471
-
-
Hans, A.1
Panas, I.2
Pettersson, L.G.M.3
Siegbahn, P.4
Wahlgren, U.5
-
120
-
-
0000682298
-
-
A. Mattsson, I. Panas, P. Siegbahn, U. Wahlgren and H. Åkeby, Phys. Rev. B 36 (1987) 7389.
-
(1987)
Phys. Rev. B
, vol.36
, pp. 7389
-
-
Mattsson, A.1
Panas, I.2
Siegbahn, P.3
Wahlgren, U.4
Åkeby, H.5
-
128
-
-
3342982081
-
-
P.S. Bagus, C.J. Nelin, W. Muller, M.R. Philpott and H. Seki, Phys. Rev. Lett. 58 (1987) 559.
-
(1987)
Phys. Rev. Lett.
, vol.58
, pp. 559
-
-
Bagus, P.S.1
Nelin, C.J.2
Muller, W.3
Philpott, M.R.4
Seki, H.5
-
133
-
-
4243259894
-
-
C.F. Melius, T.H. Upton and W.A. Goddard III, Solid State Commun. 28 (1978) 501; T.H. Upton and W.A. Goddard III, Phys. Rev. Lett. 46 (1981) 1635.
-
(1981)
Phys. Rev. Lett.
, vol.46
, pp. 1635
-
-
Upton, T.H.1
Goddard W.A. III2
-
136
-
-
0042253287
-
-
note
-
See embedded cluster studies by Whitten, Yang and coworkers.
-
-
-
-
137
-
-
36549091887
-
-
R. Fournier, J. Andzelm, A. Goursot, N. Russo and D.R. Salahub, J. Chem. Phys. 93 (1990) 2919.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2919
-
-
Fournier, R.1
Andzelm, J.2
Goursot, A.3
Russo, N.4
Salahub, D.R.5
-
141
-
-
0001135406
-
-
Eds. D.A. King and D.P. Woodruff Elsevier, Amsterdam, ch. 3
-
C.R. Brundle and J.Q. Broughton, in: The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis, Vol. 3A, Eds. D.A. King and D.P. Woodruff (Elsevier, Amsterdam, 1990) ch. 3.
-
(1990)
The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis
, vol.3 A
-
-
Brundle, C.R.1
Broughton, J.Q.2
-
144
-
-
0003875668
-
-
G. Pacchioni, Theor. Chim. Acta 62 (1983) 461; G. Pacchioni, J. Koutecky and H. Beckmann, Surf. Sci. 144 (1984) 602.
-
(1983)
Theor. Chim. Acta
, vol.62
, pp. 461
-
-
Pacchioni, G.1
-
155
-
-
0041752708
-
-
K. Przybylski, J. Koutecky, V. Bonacic-Koutecky, P. Von R. Schleyer and M.F. Guest, J. Chem. Phys. 94 (1991) 5533.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 5533
-
-
Przybylski, K.1
Koutecky, J.2
Bonacic-Koutecky, V.3
Von Schleyer, P.R.4
Guest, M.F.5
-
157
-
-
4243801420
-
-
P. Dugourd, J. Blanc, V. Bonacic-Koutecky, M. Broyer, J. Chevaleyre, J. Koutecky, J. Pittner, J.P. Wolf and L. Woste, Phys. Rev. Lett. 67 (1991) 2638.
-
(1991)
Phys. Rev. Lett.
, vol.67
, pp. 2638
-
-
Dugourd, P.1
Blanc, J.2
Bonacic-Koutecky, V.3
Broyer, M.4
Chevaleyre, J.5
Koutecky, J.6
Pittner, J.7
Wolf, J.P.8
Woste, L.9
-
159
-
-
0001062572
-
-
J. Blanc, V. Bonacic-Koutecky, M. Broyer, J. Chevaleyre, P. Dugourd, J. Koutecky, C. Scheuch, I.P. Wolf and L. Woste, J. Chem. Phys. 96 (1992) 1793.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1793
-
-
Blanc, J.1
Bonacic-Koutecky, V.2
Broyer, M.3
Chevaleyre, J.4
Dugourd, P.5
Koutecky, J.6
Scheuch, C.7
Wolf, I.P.8
Woste, L.9
-
160
-
-
0000134901
-
-
V. Bonacic-Koutecky, J. Gaus, M.F. Guest, L. Cespiva and J. Koutecky, Chem. Phys. Lett. 206 (1993) 528.
-
(1993)
Chem. Phys. Lett.
, vol.206
, pp. 528
-
-
Bonacic-Koutecky, V.1
Gaus, J.2
Guest, M.F.3
Cespiva, L.4
Koutecky, J.5
-
167
-
-
4243216574
-
-
D.-S. Wang, A.J. Freeman and H. Krakauer, Phys. Rev. B 24 (1981) 3092; 24 (1981) 3104.
-
(1981)
Phys. Rev. B
, vol.24
, pp. 3104
-
-
-
169
-
-
0041752672
-
-
P.S. Bagus, I.P. Batra, R. Broer and C.W. Bauschlicher, Jr., J. Electron Spectrosc. Rel. Phen. 29 (1983) 225.
-
(1983)
J. Electron Spectrosc. Rel. Phen.
, vol.29
, pp. 225
-
-
Bagus, P.S.1
Batra, I.P.2
Broer, R.3
Bauschlicher C.W., Jr.4
-
178
-
-
84918713405
-
-
P.S. Bagus, F. Parmigiani, G. Polzonetti, F. Illas and C.R. Brundle, J. Vac. Sci. Technol. A 9 (1991) 1747.
-
(1991)
J. Vac. Sci. Technol. A
, vol.9
, pp. 1747
-
-
Bagus, P.S.1
Parmigiani, F.2
Polzonetti, G.3
Illas, F.4
Brundle, C.R.5
-
179
-
-
0000823845
-
-
P.S. Bagus, C.R. Brundle, F. Illas, F. Parmigiani and G. Polzonetti, Phys. Rev. B 44 (1991) 9025.
-
(1991)
Phys. Rev. B
, vol.44
, pp. 9025
-
-
Bagus, P.S.1
Brundle, C.R.2
Illas, F.3
Parmigiani, F.4
Polzonetti, G.5
-
180
-
-
0042754543
-
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani Plenum, New York
-
J.D. Head, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani (Plenum, New York, 1992) p. 415.
-
(1992)
Cluster Models for Surface and Bulk Phenomena
, pp. 415
-
-
Head, J.D.1
-
185
-
-
0041752675
-
-
J.C. Boettger, U. Birkenheuer, S. Krüger, N. Rösch and S.B. Trickey, Phys. Rev. B 52 (1995) 2025; B. Reichert and N. Rösch, Z. Phys. B 89 (1992) 355.
-
(1995)
Phys. Rev. B
, vol.52
, pp. 2025
-
-
Boettger, J.C.1
Birkenheuer, U.2
Krüger, S.3
Rösch, N.4
Trickey, S.B.5
-
186
-
-
0043255701
-
-
J.C. Boettger, U. Birkenheuer, S. Krüger, N. Rösch and S.B. Trickey, Phys. Rev. B 52 (1995) 2025; B. Reichert and N. Rösch, Z. Phys. B 89 (1992) 355.
-
(1992)
Z. Phys. B
, vol.89
, pp. 355
-
-
Reichert, B.1
Rösch, N.2
-
187
-
-
84981631918
-
-
J.C. Boettger, U. Birkenheuer, N. Rösch and S.B. Trickey, Int. J. Quant. Chem., Quant. Chem. Symp. 28 (1994) 675.
-
(1994)
Int. J. Quant. Chem., Quant. Chem. Symp.
, vol.28
, pp. 675
-
-
Boettger, J.C.1
Birkenheuer, U.2
Rösch, N.3
Trickey, S.B.4
-
214
-
-
84990642429
-
-
Calculations were performed using density functional programs by E.J. Baerends, P.M. Boerrigter and G. te Velde, Int. J. Quant. Chem. 33 (1988) 87, and DGAUSS, authored by J. Andzelm and E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
-
(1988)
Int. J. Quant. Chem.
, vol.33
, pp. 87
-
-
Baerends, E.J.1
Boerrigter, P.M.2
Te Velde, G.3
-
215
-
-
3342922190
-
-
Calculations were performed using density functional programs by E.J. Baerends, P.M. Boerrigter and G. te Velde, Int. J. Quant. Chem. 33 (1988) 87, and DGAUSS, authored by J. Andzelm and E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1280
-
-
Andzelm, J.1
Wimmer, E.2
-
232
-
-
84912971572
-
-
C.U.S. Larsson, S.A. Flodström, R. Nyholm, L. Incoccia and F. Senf, J. Vac. Sci. Technol. A 5 (1987) 3321.
-
(1987)
J. Vac. Sci. Technol. A
, vol.5
, pp. 3321
-
-
Larsson, C.U.S.1
Flodström, S.A.2
Nyholm, R.3
Incoccia, L.4
Senf, F.5
-
241
-
-
0001746233
-
-
Eds. D.A. King and D.P. Woodruff Elsevier, Amsterdam
-
See a recent review on the adsorption of carbon monoxide by the transition metals by J.C. Campuzano, in: The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis, Vol. 3A, Eds. D.A. King and D.P. Woodruff (Elsevier, Amsterdam, 1990) p. 389.
-
(1990)
The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis
, vol.3 A
, pp. 389
-
-
Campuzano, J.C.1
-
244
-
-
84981778017
-
-
R.B. Woodward and R. Hoffmann, Ang. Chem. Int. Ed. Engl. 8 (1969) 781. See also T. A. Albright, J.K. Burdett and M.H. Whangbo, Orbital Interactions in Chemistry (Wiley, New York, 1985).
-
(1969)
Ang. Chem. Int. Ed. Engl.
, vol.8
, pp. 781
-
-
Woodward, R.B.1
Hoffmann, R.2
-
246
-
-
4243656226
-
-
D.M. Newns, Phys. Rev. 178 (1969) 1123; P.W. Anderson, Phys. Rev. 124 (1964) 41; T.B. Grimley, CRC Crit. Rev. Solid State Sci. 239 (1976).
-
(1969)
Phys. Rev.
, vol.178
, pp. 1123
-
-
Newns, D.M.1
-
247
-
-
2842617037
-
-
D.M. Newns, Phys. Rev. 178 (1969) 1123; P.W. Anderson, Phys. Rev. 124 (1964) 41; T.B. Grimley, CRC Crit. Rev. Solid State Sci. 239 (1976).
-
(1964)
Phys. Rev.
, vol.124
, pp. 41
-
-
Anderson, P.W.1
-
252
-
-
0003631340
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
G. Blyholder and H. Sellers, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 321.
-
(1992)
NATO ASI Ser.
, vol.283
, pp. 321
-
-
Blyholder, G.1
Sellers, H.2
-
257
-
-
0003231406
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
P.E. Siegbahn, M.A. Nygren and U. Wahlgren, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 267.
-
(1992)
NATO ASI Ser.
, vol.283
, pp. 267
-
-
Siegbahn, P.E.1
Nygren, M.A.2
Wahlgren, U.3
-
258
-
-
0009717408
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
K. Hermann, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 209.
-
(1992)
NATO ASI Ser.
, vol.283
, pp. 209
-
-
Hermann, K.1
-
261
-
-
26744443736
-
-
P.S. Bagus, K. Hermann, P. Avouris, A.R. Rossi and K.C. Prince, Chem. Phys. Lett. 118 (1985) 311.
-
(1985)
Chem. Phys. Lett.
, vol.118
, pp. 311
-
-
Bagus, P.S.1
Hermann, K.2
Avouris, P.3
Rossi, A.R.4
Prince, K.C.5
-
267
-
-
0003231406
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
N. Rösch, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 251.
-
(1992)
NATO ASI Ser.
, vol.283
, pp. 251
-
-
Rösch, N.1
-
272
-
-
4243427402
-
-
N. Memmel, G. Rangelov, E. Bertel, V. Dose, K. Kometer and N. Rösch, Phys. Rev. Lett. 63 (1989) 1884.
-
(1989)
Phys. Rev. Lett.
, vol.63
, pp. 1884
-
-
Memmel, N.1
Rangelov, G.2
Bertel, E.3
Dose, V.4
Kometer, K.5
Rösch, N.6
-
273
-
-
4243735573
-
-
N. Rösch, P. Sandl, P. Knappe, A. Görling and B.I. Dunlap, Z. Phys. D 12 (1989) 547.
-
(1989)
Z. Phys. D
, vol.12
, pp. 547
-
-
Rösch, N.1
Sandl, P.2
Knappe, P.3
Görling, A.4
Dunlap, B.I.5
-
274
-
-
0003631340
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
R.A. van Santen and M.C. Zonnevylle, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 293.
-
(1992)
NATO ASI Ser.
, vol.283
, pp. 293
-
-
Van Santen, R.A.1
Zonnevylle, M.C.2
-
277
-
-
0029292108
-
-
J.A. Mejias, A.M. Marquez, S.J. Fernandez, M. Fernandez-Garcia, J.M. Ricart, C. Sousa and F. Illas, Surf. Sci. 327 (1995) 59.
-
(1995)
Surf. Sci.
, vol.327
, pp. 59
-
-
Mejias, J.A.1
Marquez, A.M.2
Fernandez, S.J.3
Fernandez-Garcia, M.4
Ricart, J.M.5
Sousa, C.6
Illas, F.7
-
280
-
-
0003231406
-
Cluster models for surface and bulk phenomena
-
Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
-
G. Pacchioni and P.S. Bagus, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 305.
-
(1992)
NATO ASI Ser.
, vol.283
, pp. 305
-
-
Pacchioni, G.1
Bagus, P.S.2
-
293
-
-
0000024526
-
-
J. Rubio, J.M. Ricart, J. Casanovas, M. Blanco and F. Illas, J. Electroanal. Chem. 359 (1993) 105.
-
(1993)
J. Electroanal. Chem.
, vol.359
, pp. 105
-
-
Rubio, J.1
Ricart, J.M.2
Casanovas, J.3
Blanco, M.4
Illas, F.5
-
296
-
-
0040854410
-
-
Ed. R. Carb Elsevier, Amsterdam
-
F. Illas, J. Rubio and J.M. Ricart, in: Studies in Physical and Theoretical Chemistry, Vol. 62, Ed. R. Carb (Elsevier, Amsterdam, 1989); F. Illas, J. Rubio and J.M. Ricart, J. Chem. Phys. 88 (1988) 260.
-
(1989)
Studies in Physical and Theoretical Chemistry
, vol.62
-
-
Illas, F.1
Rubio, J.2
Ricart, J.M.3
-
297
-
-
0040854410
-
-
F. Illas, J. Rubio and J.M. Ricart, in: Studies in Physical and Theoretical Chemistry, Vol. 62, Ed. R. Carb (Elsevier, Amsterdam, 1989); F. Illas, J. Rubio and J.M. Ricart, J. Chem. Phys. 88 (1988) 260.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 260
-
-
Illas, F.1
Rubio, J.2
Ricart, J.M.3
-
306
-
-
0028407003
-
-
M.G. Ramsey, D. Steinmüller, F.P. Netzer, S. Köstlmeier, J. Lauber and N. Rösch, Surf. Sci. 307-309 (1994) 82; L. Ackermann and N. Rösch, Chem. Phys. 168 (1992) 259.
-
(1994)
Surf. Sci.
, vol.307-309
, pp. 82
-
-
Ramsey, M.G.1
Steinmüller, D.2
Netzer, F.P.3
Köstlmeier, S.4
Lauber, J.5
Rösch, N.6
-
307
-
-
21144466827
-
-
M.G. Ramsey, D. Steinmüller, F.P. Netzer, S. Köstlmeier, J. Lauber and N. Rösch, Surf. Sci. 307-309 (1994) 82; L. Ackermann and N. Rösch, Chem. Phys. 168 (1992) 259.
-
(1992)
Chem. Phys.
, vol.168
, pp. 259
-
-
Ackermann, L.1
Rösch, N.2
-
308
-
-
0000871437
-
-
K.M. Neyman, N. Rösch, K.L. Kostov, P. Jacob and D. Menzel, J. Chem. Phys. 100 (1994) 2310.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2310
-
-
Neyman, K.M.1
Rösch, N.2
Kostov, K.L.3
Jacob, P.4
Menzel, D.5
-
309
-
-
0026652284
-
-
M.G. Ramsey, D. Steinmüller, F.P. Netzer, M. Neuber, L. Ackermann, J. Lauber and N. Rösch, Surf. Sci. 260 (1992) 163.
-
(1992)
Surf. Sci.
, vol.260
, pp. 163
-
-
Ramsey, M.G.1
Steinmüller, D.2
Netzer, F.P.3
Neuber, M.4
Ackermann, L.5
Lauber, J.6
Rösch, N.7
-
310
-
-
0027625622
-
-
M.A. Chesters, D. Lennon, L. Ackermann, O.D. Häberlen, S. Krüger and N. Rösch, Surf. Sci. 291 (1993) 177.
-
(1993)
Surf. Sci.
, vol.291
, pp. 177
-
-
Chesters, M.A.1
Lennon, D.2
Ackermann, L.3
Häberlen, O.D.4
Krüger, S.5
Rösch, N.6
-
311
-
-
0003631340
-
-
Eds. G. Pacchioni et al. Plenum, New York
-
R. Fournier, N. Russo, D.R. Salahub and M. Toscano, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni et al. (Plenum, New York, 1992).
-
(1992)
Cluster Models for Surface and Bulk Phenomena
-
-
Fournier, R.1
Russo, N.2
Salahub, D.R.3
Toscano, M.4
-
317
-
-
36549092663
-
-
H. Yang and J.L. Whitten, J. Am. Chem. Soc. 113 (1991) 6442; J. Chem. Phys. 91 (1989) 126; Surf. Sci. 255 (1991) 193.
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 126
-
-
-
318
-
-
0026221664
-
-
H. Yang and J.L. Whitten, J. Am. Chem. Soc. 113 (1991) 6442; J. Chem. Phys. 91 (1989) 126; Surf. Sci. 255 (1991) 193.
-
(1991)
Surf. Sci.
, vol.255
, pp. 193
-
-
-
319
-
-
0043255672
-
-
J. Schule, I. Panas, P. Siegbahn and U. Wahlgren, J. Mol. Struct. (Theochem) 170 (1988) 151; J. Schule, P. Siegbahn and U. Wahlgren, J. Chem. Phys. 89 (1988) 6982.
-
(1988)
J. Mol. Struct. (Theochem)
, vol.170
, pp. 151
-
-
Schule, J.1
Panas, I.2
Siegbahn, P.3
Wahlgren, U.4
-
320
-
-
36549092546
-
-
J. Schule, I. Panas, P. Siegbahn and U. Wahlgren, J. Mol. Struct. (Theochem) 170 (1988) 151; J. Schule, P. Siegbahn and U. Wahlgren, J. Chem. Phys. 89 (1988) 6982.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 6982
-
-
Schule, J.1
Siegbahn, P.2
Wahlgren, U.3
-
325
-
-
0017733811
-
-
Vienna
-
J.T. Yates, Jr., D.W. Goodman and T.E. Madey, in: Proc. 7th Int. Vac. Congr./3rd Int. Conf. on Solid Surfaces, Vienna, 1977, p. 1133.
-
(1977)
Proc. 7th Int. Vac. Congr./3rd Int. Conf. on Solid Surfaces
, pp. 1133
-
-
Yates J.T., Jr.1
Goodman, D.W.2
Madey, T.E.3
-
330
-
-
0037582194
-
-
S.M. Gates, J.N. Russell, Jr. and J.T. Yates, Jr., Surf. Sci. 146 (1984) 199; 159 (1984) 233.
-
(1984)
Surf. Sci.
, vol.159
, pp. 233
-
-
-
331
-
-
84918181694
-
-
Eds. R. Vanselow and R. Howe Springer, Berlin, ch. 10
-
J.T. Yates, Jr., J.N. Russell, Jr. and S.M. Gates, in: Chemistry and Physics of Solid Surfaces VI, Vol. 5, Eds. R. Vanselow and R. Howe (Springer, Berlin, 1986) ch. 10.
-
(1986)
Chemistry and Physics of Solid Surfaces VI
, vol.5
-
-
Yates J.T., Jr.1
Russell J.N., Jr.2
Gates, S.M.3
-
332
-
-
0001094006
-
-
R. Zenobi, J. Xu, J.T. Yates, Jr., B.N.J. Persson and A.I. Volokitin, Chem. Phys. Lett. 208 (1993) 414.
-
(1993)
Chem. Phys. Lett.
, vol.208
, pp. 414
-
-
Zenobi, R.1
Xu, J.2
Yates J.T., Jr.3
Persson, B.N.J.4
Volokitin, A.I.5
-
334
-
-
0028401318
-
-
Ph. Hofmann, K.-M. Schindler, S. Bao, V. Fritzsche, D.E. Ricken, A.M. Bradshaw and D.P. Woodruff, Surf. Sci. 304 (1994) 74; O. Schaff, G. Hess, V. Fritzsche, V. Fernandez, K.-M. Schindler, A. Theobald, Ph. Hofmann, A.M. Bradshaw, R. Davis and D.P. Woodruff, Surf. Sci. 331-333 (1995) 201.
-
(1994)
Surf. Sci.
, vol.304
, pp. 74
-
-
Hofmann, Ph.1
Schindler, K.-M.2
Bao, S.3
Fritzsche, V.4
Ricken, D.E.5
Bradshaw, A.M.6
Woodruff, D.P.7
-
335
-
-
0029342970
-
-
Ph. Hofmann, K.-M. Schindler, S. Bao, V. Fritzsche, D.E. Ricken, A.M. Bradshaw and D.P. Woodruff, Surf. Sci. 304 (1994) 74; O. Schaff, G. Hess, V. Fritzsche, V. Fernandez, K.-M. Schindler, A. Theobald, Ph. Hofmann, A.M. Bradshaw, R. Davis and D.P. Woodruff, Surf. Sci. 331-333 (1995) 201.
-
(1995)
Surf. Sci.
, vol.331-333
, pp. 201
-
-
Schaff, O.1
Hess, G.2
Fritzsche, V.3
Fernandez, V.4
Schindler, K.-M.5
Theobald, A.6
Hofmann, Ph.7
Bradshaw, A.M.8
Davis, R.9
Woodruff, D.P.10
-
343
-
-
0026930111
-
-
K. Hermann and C. Meyer, Surf. Sci. 269/270 (1992) 326; 277 (1992) 377.
-
(1992)
Surf. Sci.
, vol.277
, pp. 377
-
-
-
344
-
-
21344494904
-
-
M. Witko, K. Hermann, D. Ricken, W. Stenzel, H. Conrad and A.M. Bradshaw, Chem. Phys. 177 (1993) 363.
-
(1993)
Chem. Phys.
, vol.177
, pp. 363
-
-
Witko, M.1
Hermann, K.2
Ricken, D.3
Stenzel, W.4
Conrad, H.5
Bradshaw, A.M.6
-
346
-
-
0000030815
-
-
Ed. C. Kemball The Chemical Society, London
-
P.C.H. Mitchell, in: Catalysis, Ed. C. Kemball (The Chemical Society, London, 1977) Vol. 1, p. 223; Vol. 4, p. 203.
-
(1977)
Catalysis
, vol.1
, pp. 223
-
-
Mitchell, P.C.H.1
-
347
-
-
84914186235
-
-
P.C.H. Mitchell, in: Catalysis, Ed. C. Kemball (The Chemical Society, London, 1977) Vol. 1, p. 223; Vol. 4, p. 203.
-
Catalysis
, vol.4
, pp. 203
-
-
-
353
-
-
0001652310
-
-
R.J. Koestner, J. Stohr, J.L. Gland, E.B. Kollin and F. Sette, Chem. Phys. Lett. 120 (1985) 285.
-
(1985)
Chem. Phys. Lett.
, vol.120
, pp. 285
-
-
Koestner, R.J.1
Stohr, J.2
Gland, J.L.3
Kollin, E.B.4
Sette, F.5
-
355
-
-
0027874160
-
-
T.S. Rufael, R.J. Koestner, E.B. Kollin, M. Salmeron and J.L. Gland, Surf. Sci. 297 (1993) 272.
-
(1993)
Surf. Sci.
, vol.297
, pp. 272
-
-
Rufael, T.S.1
Koestner, R.J.2
Kollin, E.B.3
Salmeron, M.4
Gland, J.L.5
-
356
-
-
0000238983
-
-
D.L. Seymour, S. Bao, C.F. McConville, M.D. Crapper, D.P. Woodruff and R.G. Jones, Surf. Sci. 189/190 (1987) 529.
-
(1987)
Surf. Sci.
, vol.189-190
, pp. 529
-
-
Seymour, D.L.1
Bao, S.2
McConville, C.F.3
Crapper, M.D.4
Woodruff, D.P.5
Jones, R.G.6
-
358
-
-
45449122762
-
-
M.R. Albert, J.P. Lu, S.L. Bernasek, S.D. Cameron and J.L. Gland, Surf. Sci. 206 (1988) 348.
-
(1988)
Surf. Sci.
, vol.206
, pp. 348
-
-
Albert, M.R.1
Lu, J.P.2
Bernasek, S.L.3
Cameron, S.D.4
Gland, J.L.5
-
366
-
-
0000650212
-
-
J.T. Roberts and C.M. Friend, J. Am. Chem. Soc. 108 (1986) 7204; 109 (1987) 3872.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 3872
-
-
-
382
-
-
26744469078
-
-
W. Huber, H.P. Steinruck, T. Pache and D. Menzel, Surf. Sci. 217 (1989) 103; 218 (1989) 293.
-
(1989)
Surf. Sci.
, vol.218
, pp. 293
-
-
-
383
-
-
0026191101
-
-
M.G. Ramsey, D. Steinmuller, F.P. Netzer, T. Schedel, A. Santaniello and D.R. Lloyd, Surf. Sci. 251/252 (1991) 979.
-
(1991)
Surf. Sci.
, vol.251-252
, pp. 979
-
-
Ramsey, M.G.1
Steinmuller, D.2
Netzer, F.P.3
Schedel, T.4
Santaniello, A.5
Lloyd, D.R.6
-
385
-
-
0042253224
-
-
preprint of work to be published
-
O. Schaff, V. Fernandez, Ph. Hofmann, K.-M. Schindler, A. Theobald, V. Fritzsche, A.M. Bradshaw, R. Davis and D.P. Woodruff, preprint of work to be published.
-
-
-
Schaff, O.1
Fernandez, V.2
Hofmann, Ph.3
Schindler, K.-M.4
Theobald, A.5
Fritzsche, V.6
Bradshaw, A.M.7
Davis, R.8
Woodruff, D.P.9
-
397
-
-
0039166169
-
-
M.C. Zonnevylle, J.J.C. Geerlings and R.A. van Santen, J. Catal. 148 (1994) 417; Surf. Sci. 240 (1990) 253.
-
(1990)
Surf. Sci.
, vol.240
, pp. 253
-
-
-
399
-
-
0000824846
-
-
W. Biemolt, G.J.C.S. van de Kerkhof, P.R. Davies, A.P.J. Jansen and R.A. van Santen, Chem. Phys. Lett. 188 (1992) 477; W. Biemolt, P.R. Davies, A.P.J. Jansen and R.A. van Santen, Catal. Today 12 (1992) 427.
-
(1992)
Chem. Phys. Lett.
, vol.188
, pp. 477
-
-
Biemolt, W.1
Van De Kerkhof, G.J.C.S.2
Davies, P.R.3
Jansen, A.P.J.4
Van Santen, R.A.5
-
400
-
-
0043255660
-
-
W. Biemolt, G.J.C.S. van de Kerkhof, P.R. Davies, A.P.J. Jansen and R.A. van Santen, Chem. Phys. Lett. 188 (1992) 477; W. Biemolt, P.R. Davies, A.P.J. Jansen and R.A. van Santen, Catal. Today 12 (1992) 427.
-
(1992)
Catal. Today
, vol.12
, pp. 427
-
-
Biemolt, W.1
Davies, P.R.2
Jansen, A.P.J.3
Van Santen, R.A.4
-
402
-
-
17044444426
-
-
W. Biemolt, A.P.J. Jansen, M. Neurock, G.J.C.S. van de Kerkhof and R.A. van Santen, Surf. Sci. 287/288 (1993) 183.
-
(1993)
Surf. Sci.
, vol.287-288
, pp. 183
-
-
Biemolt, W.1
Jansen, A.P.J.2
Neurock, M.3
Van De Kerkhof, G.J.C.S.4
Van Santen, R.A.5
-
408
-
-
0000961767
-
-
M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
-
(1992)
Phys. Rev. B
, vol.46
, pp. 1675
-
-
Weinelt, M.1
Huber, W.2
Zebisch, P.3
Steinrück, H.-P.4
Reichert, B.5
Birkenheuer, U.6
Rösch, N.7
-
409
-
-
0026881999
-
-
M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
-
(1992)
Surf. Sci.
, vol.271
, pp. 539
-
-
-
410
-
-
0000961767
-
-
La Plagne, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre
-
M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
-
(1992)
Proc. Symp. on Surface Science
, pp. 276-279
-
-
Weinelt, M.1
Zebisch, P.2
Huber, W.3
Pabst, M.4
Birkenheuer, U.5
Reichert, B.6
Rösch, N.7
Steinrück, H.-P.8
-
411
-
-
0029769838
-
-
M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
-
(1996)
Surf. Sci.
, vol.345
, pp. 331
-
-
Gutdeutsch, U.1
Bertel, E.2
Cramer, E.3
Boettger, J.C.4
Birkenheuer, U.5
Rösch, N.6
-
412
-
-
36449007580
-
-
M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, P. Ulbricht, U. Birkenheuer, J.C. Boettger and N. Rösch, J. Chem. Phys. 102 (1995) 9709.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 9709
-
-
Weinelt, M.1
Huber, W.2
Zebisch, P.3
Steinrück, H.-P.4
Ulbricht, P.5
Birkenheuer, U.6
Boettger, J.C.7
Rösch, N.8
-
413
-
-
0029271444
-
-
P. Ulbricht, O.D. Häberlen, M. Weinelt, H.-P. Steinrück and N. Rösch, Surf. Sci. 326 (1995) 53.
-
(1995)
Surf. Sci.
, vol.326
, pp. 53
-
-
Ulbricht, P.1
Häberlen, O.D.2
Weinelt, M.3
Steinrück, H.-P.4
Rösch, N.5
-
417
-
-
0343780152
-
-
K. Christmann, R. J. Behm, G. Ertl, M.A. Van Hove and W.H. Weinberg, J. Chem. Phys. 70 (1979) 4168.
-
(1979)
J. Chem. Phys.
, vol.70
, pp. 4168
-
-
Christmann, K.1
Behm, R.J.2
Ertl, G.3
Van Hove, M.A.4
Weinberg, W.H.5
-
421
-
-
0000957846
-
-
A.D. Johnson, K.J. Maynard, S.P. Daley, Q.Y. Yang and S.T. Ceyer, Phys. Rev. Lett. 67 (1991) 927.
-
(1991)
Phys. Rev. Lett.
, vol.67
, pp. 927
-
-
Johnson, A.D.1
Maynard, K.J.2
Daley, S.P.3
Yang, Q.Y.4
Ceyer, S.T.5
-
424
-
-
36849104793
-
-
R.L. Palmer, J.N. Smith, Jr., H. Saltsburg and D.R. O'Keefe, J. Chem. Phys. 53 (1973) 1666.
-
(1973)
J. Chem. Phys.
, vol.53
, pp. 1666
-
-
Palmer, R.L.1
Smith J.N., Jr.2
Saltsburg, H.3
O'Keefe, D.R.4
-
425
-
-
0000235931
-
-
H.R. Robota, W. Vielhaber, M.C. Lin, J. Segner and G. Ertl, Surf. Sci. 155 (1985) 101.
-
(1985)
Surf. Sci.
, vol.155
, pp. 101
-
-
Robota, H.R.1
Vielhaber, W.2
Lin, M.C.3
Segner, J.4
Ertl, G.5
-
433
-
-
24044527822
-
-
D.J.M. Fassaert and A. van der Avoird, Surf. Sci. 55 (1976) 291; 55 (1976) 313.
-
(1976)
Surf. Sci.
, vol.55
, pp. 313
-
-
-
439
-
-
0042253215
-
-
Eds. M.A. Van Hove and S.Y. Tong Springer, Berlin
-
S. Holloway and J.K. Nørskov, in: The Structure of Surfaces, Eds. M.A. Van Hove and S.Y. Tong (Springer, Berlin, 1985) pp. 18-28.
-
(1985)
The Structure of Surfaces
, pp. 18-28
-
-
Holloway, S.1
Nørskov, J.K.2
-
441
-
-
3743129591
-
-
M.J. Puska, R.M. Nieminen, M. Manninen, B. Chakrabarty, S. Holloway and J.K. Nørskov, Phys. Rev. Lett. 51 (1983) 1081.
-
(1983)
Phys. Rev. Lett.
, vol.51
, pp. 1081
-
-
Puska, M.J.1
Nieminen, R.M.2
Manninen, M.3
Chakrabarty, B.4
Holloway, S.5
Nørskov, J.K.6
-
442
-
-
0021476739
-
-
F. Bensenbacher, B. Bogh, A.A. Pisarev, M.J. Puska, S. Holloway and J.K. Nørskov, Nucl. Instr. Meth. B 4 (1984) 374.
-
(1984)
Nucl. Instr. Meth. B
, vol.4
, pp. 374
-
-
Bensenbacher, F.1
Bogh, B.2
Pisarev, A.A.3
Puska, M.J.4
Holloway, S.5
Nørskov, J.K.6
-
450
-
-
36549096879
-
-
B.M. Rice, B.C. Garrett, M.L. Koszykowski, S.M. Foiles and M.S. Daw, J. Chem. Phys. 92 (1990) 775.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 775
-
-
Rice, B.M.1
Garrett, B.C.2
Koszykowski, M.L.3
Foiles, S.M.4
Daw, M.S.5
-
478
-
-
11944256577
-
-
M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias and J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045.
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
484
-
-
0041752616
-
-
preprint of work to be published
-
S.J. Riley, preprint of work to be published.
-
-
-
Riley, S.J.1
-
485
-
-
0006975635
-
-
Eds. J.R. Anderson and M. Boudart Springer, Berlin
-
J.R. Rostrup-Nielsen, in: Catalysis - Science, Vol. 5, Eds. J.R. Anderson and M. Boudart (Springer, Berlin, 1984).
-
(1984)
Catalysis - Science
, vol.5
-
-
Rostrup-Nielsen, J.R.1
-
486
-
-
0000033079
-
-
T.P. Beebe, Jr., D.W. Goodman, B.D. Kay and J.T. Yates, Jr., J. Chem. Phys. 87 (1987) 2305.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 2305
-
-
Beebe T.P., Jr.1
Goodman, D.W.2
Kay, B.D.3
Yates J.T., Jr.4
-
489
-
-
84957276439
-
-
S.T. Ceyer, J.D. Beckerle, M.B. Lee, S.L. Tang, Q.Y. Yang and M.A. Hines, J. Vac. Sci. Technol. A 5 (1987) 501.
-
(1987)
J. Vac. Sci. Technol. A
, vol.5
, pp. 501
-
-
Ceyer, S.T.1
Beckerle, J.D.2
Lee, M.B.3
Tang, S.L.4
Yang, Q.Y.5
Hines, M.A.6
-
504
-
-
0000581728
-
-
O. Swang, K. Faegri, Jr., O. Gropen, U. Wahlgren and P. Siegbahn, Chem. Phys. 156 (1991) 379.
-
(1991)
Chem. Phys.
, vol.156
, pp. 379
-
-
Swang, O.1
Faegri K., Jr.2
Gropen, O.3
Wahlgren, U.4
Siegbahn, P.5
-
510
-
-
0026880953
-
-
G. Rangelov, U. Bischler, N. Memmel, E. Bertel, V. Dose, M. Pabst and N. Rösch, Surf. Sci. 273 (1992) 61.
-
(1992)
Surf. Sci.
, vol.273
, pp. 61
-
-
Rangelov, G.1
Bischler, U.2
Memmel, N.3
Bertel, E.4
Dose, V.5
Pabst, M.6
Rösch, N.7
-
513
-
-
4243323116
-
-
N. Rösch, T. Fox, F.P. Netzer, M.G. Ramsey and D. Steinmüller, J. Chem. Phys. 94 (1991) 3276,
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 3276
-
-
Rösch, N.1
Fox, T.2
Netzer, F.P.3
Ramsey, M.G.4
Steinmüller, D.5
-
530
-
-
0027579556
-
-
A. Görling, L. Ackermann, J. Lauber, P. Knappe and N. Rösch, Surf. Sci. 286 (1993) 26.
-
(1993)
Surf. Sci.
, vol.286
, pp. 26
-
-
Görling, A.1
Ackermann, L.2
Lauber, J.3
Knappe, P.4
Rösch, N.5
-
536
-
-
77956930557
-
Structure-activity and selectivity relationships in heterogeneous catalysis
-
Eds. R.K. Graselli and A.W. Sleight
-
A.P.J. Jansen and R.A. van Santen, in : Structure-Activity and Selectivity Relationships in Heterogeneous Catalysis, Eds. R.K. Graselli and A.W. Sleight, Stud. Surf. Sci. Catal. 68 (1991) 221.
-
(1991)
Stud. Surf. Sci. Catal.
, vol.68
, pp. 221
-
-
Jansen, A.P.J.1
Van Santen, R.A.2
-
541
-
-
0029323708
-
-
P. Maciejewski, W. Wurth, S. Köstlmeier, G. Pacchioni and N. Rösch, Surf. Sci. 330 (1995) 156.
-
(1995)
Surf. Sci.
, vol.330
, pp. 156
-
-
Maciejewski, P.1
Wurth, W.2
Köstlmeier, S.3
Pacchioni, G.4
Rösch, N.5
-
559
-
-
0003677913
-
-
Eds. C.T. Rettner and M.N.R. Ashfold Royal Society of Chemistry, London
-
S. Holloway, in: Dynamics of Gas-Surface Interactions, Eds. C.T. Rettner and M.N.R. Ashfold (Royal Society of Chemistry, London, 1991).
-
(1991)
Dynamics of Gas-Surface Interactions
-
-
Holloway, S.1
-
560
-
-
0003677913
-
-
Eds. C.T. Rettner and M.N.R. Ashfold Royal Society of Chemistry, London
-
A.E. DePristo, in: Dynamics of Gas-Surface Interactions, Eds. C.T. Rettner and M.N.R. Ashfold (Royal Society of Chemistry, London, 1991).
-
(1991)
Dynamics of Gas-Surface Interactions
-
-
DePristo, A.E.1
-
566
-
-
0001744163
-
-
J.G. Lauderdale and D.G. Truhlar, Surf. Sci. 164 (1985) 558; J. Chem. Phys. 84 (1986) 1843.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 1843
-
-
-
568
-
-
0007074844
-
-
T.N. Truong and D.G. Truhlar, J. Phys. Chem. 91 (1987) 6229; J. Chem. Phys. 88 (1988) 6611.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 6611
-
-
-
570
-
-
0026914573
-
-
D.-H. Lu, T.N. Truong, V.S. Melissas, G.C. Lynch, Y.-P. Liu, B.C. Garrett, R. Steckler, A.D. Isaacson, S.N. Rai, G.C. Hancock, J.G. Lauderdale, T. Joseph and D.G. Truhlar, Comput. Phys. Commun. 71 (1992) 235.
-
(1992)
Comput. Phys. Commun.
, vol.71
, pp. 235
-
-
Lu, D.-H.1
Truong, T.N.2
Melissas, V.S.3
Lynch, G.C.4
Liu, Y.-P.5
Garrett, B.C.6
Steckler, R.7
Isaacson, A.D.8
Rai, S.N.9
Hancock, G.C.10
Lauderdale, J.G.11
Joseph, T.12
Truhlar, D.G.13
-
573
-
-
0043255605
-
-
Eds. H. Seller and J.T. Golab Plenum, New York, in press
-
S.E. Wonchoba, W.-P. Hu and D.G. Truhlar, in: Theoretical and Computational Approaches to Interface Phenomena, Eds. H. Seller and J.T. Golab (Plenum, New York, 1995, in press).
-
(1995)
Theoretical and Computational Approaches to Interface Phenomena
-
-
Wonchoba, S.E.1
Hu, W.-P.2
Truhlar, D.G.3
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