Reverse Hydrogen Spillover onto Zeolite-Supported Metal Clusters:  An Embedded Cluster Density Functional Study of Models M6(M = Rh, Ir, or Au)

2007 ◽  
Vol 111 (33) ◽  
pp. 12340-12351 ◽  
Author(s):  
Elena A. Ivanova Shor ◽  
Vladimir A. Nasluzov ◽  
Aleksey M. Shor ◽  
Georgi N. Vayssilov ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Metal Clusters ◽  
Hydrogen Spillover ◽  
Functional Study ◽  
Density Functional Study ◽  
Supported Metal Clusters ◽  
Cluster Density ◽  
Supported Metal

Dynamic core hole screening in small-diameter conducting carbon nanotubes: A cluster density functional study

2013 ◽  
Vol 543 ◽  
pp. 41-47 ◽  
Author(s):  
A. Sindona ◽  
F. Naccarato ◽  
M. Pisarra ◽  
P. Riccardi ◽  
G. Falcone
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional ◽  
Small Diameter ◽  
Functional Study ◽  
Core Hole ◽  
Density Functional Study ◽  
Cluster Density

Reverse hydrogen spillover on and hydrogenation of supported metal clusters: insights from computational model studies

2012 ◽  
Vol 14 (17) ◽  
pp. 5879 ◽  
Author(s):  
Georgi N. Vayssilov ◽  
Galina P. Petrova ◽  
Elena A. Ivanova Shor ◽  
Vladimir A. Nasluzov ◽  
Alexei M. Shor ◽  
...  
Keyword(s):  
Computational Model ◽  
Metal Clusters ◽  
Hydrogen Spillover ◽  
Model Studies ◽  
Supported Metal Clusters ◽  
Supported Metal

ChemInform Abstract: Comparative Investigation on the Adsorption Properties of Precious Metal Clusters Toward NO: A Density Functional Study.

ChemInform ◽  
2010 ◽  
Vol 31 (31) ◽  
pp. no-no
Author(s):  
Akira Endou ◽  
Nobumoto Ohashi ◽  
Kentaro Yoshizawa ◽  
Seiichi Takami ◽  
Momoji Kubo ◽  
...  
Keyword(s):  
Precious Metal ◽  
Density Functional ◽  
Metal Clusters ◽  
Comparative Investigation ◽  
Adsorption Properties ◽  
Functional Study ◽  
Density Functional Study

scholarly journals H2Adsorption on 3d Transition Metal Clusters:  A Combined Infrared Spectroscopy and Density Functional Study

2008 ◽  
Vol 112 (6) ◽  
pp. 1139-1149 ◽  
Author(s):  
Ingmar Swart ◽  
Frank M. F. de Groot ◽  
Bert M. Weckhuysen ◽  
Philipp Gruene ◽  
Gerard Meijer ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Transition Metal ◽  
Density Functional ◽  
Metal Clusters ◽  
Functional Study ◽  
Transition Metal Clusters ◽  
Density Functional Study
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