Site‐dependent binding of methoxy on Cu(111): Cluster model studies

1994 ◽  
Vol 101 (11) ◽  
pp. 10173-10180 ◽  
Author(s):  
M. Witko ◽  
K. Hermann
Keyword(s):  
Cluster Model ◽  
Model Studies

A proposal for the proper use of pseudopotentials in molecular orbital cluster model studies of chemisorption

1984 ◽  
Vol 81 (8) ◽  
pp. 3594-3602 ◽  
Author(s):  
Paul S. Bagus ◽  
Charles W. Bauschlicher ◽  
Constance J. Nelin ◽  
Bernard C. Laskowski ◽  
Max Seel
Keyword(s):  
Molecular Orbital ◽  
Cluster Model ◽  
Model Studies

Cluster Model Studies of Oxygen-Bridged Cu Pairs in Cu−ZSM-5 Catalysts

1999 ◽  
Vol 103 (47) ◽  
pp. 10452-10460 ◽  
Author(s):  
B. R. Goodman ◽  
K. C. Hass ◽  
W. F. Schneider ◽  
J. B. Adams
Keyword(s):  
Cluster Model ◽  
Model Studies

Adsorption and reactions at the (010) V2O5 surface: cluster model studies

1999 ◽  
Vol 50 (3-4) ◽  
pp. 553-565 ◽  
Author(s):  
M Witko ◽  
K Hermann ◽  
R Tokarz
Keyword(s):  
Cluster Model ◽  
Model Studies ◽  
Surface Cluster

Reactive oxygen sites at MoO3 surfaces: ab initio cluster model studies

1996 ◽  
Vol 366 (2) ◽  
pp. 323-336 ◽  
Author(s):  
A. Michalak ◽  
K. Hermann ◽  
M. Witko
Keyword(s):  
Ab Initio ◽  
Cluster Model ◽  
Reactive Oxygen ◽  
Model Studies
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