ChemInform Abstract: Density Functional Model Calculations for Homogeneous and Heterogeneous Catalysis

ChemInform ◽  
2010 ◽  
Vol 24 (46) ◽  
pp. no-no
Author(s):  
N. RUSSO
Keyword(s):  
Heterogeneous Catalysis ◽  
Density Functional ◽  
Functional Model ◽  
Model Calculations

Electron-Deficient Palladium Clusters in Zeolites and Their Complexes with Probe CO Molecules. A Density Functional Model Cluster Study

1996 ◽  
Vol 100 (4) ◽  
pp. 413-417 ◽  
Author(s):  
Alexey L. Yakovlev ◽  
Georgy M. Zhidomirov ◽  
Konstantin M. Neyman ◽  
Vladimir A. Nasluzov ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Functional Model ◽  
Model Cluster ◽  
Palladium Clusters

Structure and vibrations of adsorption complexes NH3Ru(001): Density functional model cluster studies

1997 ◽  
Vol 119 (1-3) ◽  
pp. 245-251 ◽  
Author(s):  
Konstantin M. Neyman ◽  
Markus Staufer ◽  
Vladimir A. Nasluzov ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Functional Model ◽  
Model Cluster ◽  
Adsorption Complexes

Density functional theory studies of alloys in heterogeneous catalysis

2009 ◽  
pp. 150-181 ◽  
Author(s):  
John R. Kitchin ◽  
Spencer D. Miller ◽  
David S. Sholl
Keyword(s):  
Density Functional Theory ◽  
Heterogeneous Catalysis ◽  
Density Functional ◽  
Functional Theory

Density Functional Model Study of Uranyl Adsorption on the Solvated (001) Surface of Kaolinite

2010 ◽  
Vol 114 (31) ◽  
pp. 13287-13294 ◽  
Author(s):  
Benjamí Martorell ◽  
Alena Kremleva ◽  
Sven Krüger ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Functional Model ◽  
Model Study
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