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

Molecular orbital cluster model study of bonding and vibrations of CO adsorbed on MgO surface

1992 ◽  
Vol 42 (5) ◽  
pp. 1115-1139 ◽  
Author(s):  
Gianfranco Pacchioni ◽  
Giuseppe Cogliandro ◽  
Paul S. Bagus
Keyword(s):  
Molecular Orbital ◽  
Cluster Model ◽  
Model Study ◽  
Mgo Surface

Molecular orbital cluster model study of Cu(001)/Cl

1984 ◽  
Vol 138 (1) ◽  
pp. L142-L146 ◽  
Author(s):  
Bernard C. Laskowski ◽  
Paul S. Bagus
Keyword(s):  
Molecular Orbital ◽  
Cluster Model ◽  
Model Study

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
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