Foundations of AB Initio Theory and Applications to Chemisorption and Bulk Properties using the Cluster Model Approach

2000 ◽  
pp. 129-154
Author(s):  
Francesc Illas ◽  
Núria López ◽  
Ibério P. R. Moreira ◽  
Maite Garcia-Hernández
Keyword(s):  
Ab Initio ◽  
Cluster Model ◽  
Bulk Properties ◽  
Ab Initio Theory ◽  
Model Approach

Chemisorption of atomic hydrogen on rhodium: An ab initio cluster-model approach

1990 ◽  
Vol 170 (5-6) ◽  
pp. 561-564 ◽  
Author(s):  
Juan Carlos Paniagua ◽  
Francesc Illas
Keyword(s):  
Ab Initio ◽  
Atomic Hydrogen ◽  
Cluster Model ◽  
Model Approach

Ab initio cluster model approach to the chemisorption of NH3 on Pt(111)

1999 ◽  
Vol 430 (1-3) ◽  
pp. 18-28 ◽  
Author(s):  
M. Garcı́a-Hernández ◽  
N. López ◽  
I.de P.R. Moreira ◽  
J.C. Paniagua ◽  
F. Illas
Keyword(s):  
Ab Initio ◽  
Cluster Model ◽  
Model Approach

Ab initio cluster model approach to the chemisorption of hydrogen on mercury

1988 ◽  
Vol 241 (1-2) ◽  
pp. 105-112 ◽  
Author(s):  
M. Blanco ◽  
J. Rubio ◽  
F. Illas
Keyword(s):  
Ab Initio ◽  
Cluster Model ◽  
Model Approach

Ab initio cluster model approach to the chemisorption on mercury

1989 ◽  
Vol 261 (1) ◽  
pp. 39-50 ◽  
Author(s):  
M. Blanco ◽  
J. Rubio ◽  
F. Illas
Keyword(s):  
Ab Initio ◽  
Cluster Model ◽  
Model Approach

The orthogonal valence bond interpretation of ab initio chemisorption cluster model wavefunctions

1993 ◽  
Vol 177 (1) ◽  
pp. 61-67 ◽  
Author(s):  
A. Clotet ◽  
J.M. Ricart ◽  
J. Rubio ◽  
F. Illas
Keyword(s):  
Ab Initio ◽  
Cluster Model ◽  
Valence Bond

scholarly journals Chemisorption of oxygen and aluminum on the GaAs (110) surface from ab initio theory

1980 ◽  
Vol 17 (1) ◽  
pp. 164-168 ◽  
Author(s):  
John J. Barton ◽  
Coenraad A. Swarts ◽  
William A. Goddard ◽  
T. C. McGill
Keyword(s):  
Ab Initio ◽  
Ab Initio Theory
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