A study of the reactions of molecular hydrogen with small gold clusters
Date
2004-03-15
Authors
Varganov, Sergey A.
Olson, Ryan M.
Gordon, Mark S.
Mills, Greg
Metiu, Horia
Journal Title
Journal ISSN
Volume Title
Publisher
American Institute of Physics (AIP)
Abstract
This work presents a study of reactions between neutral and negatively chargedAunclusters(n=2,3) and molecular hydrogen. The binding energies of the first and second hydrogen molecule to the goldclusters were determined using density functional theory(DFT), second order perturbation theory (MP2) and coupled cluster (CCSD(T)) methods.
Description
Keywords
Citation
Collections
Source
The Journal of Chemical Physics
Type
Journal article
Book Title
Entity type
Access Statement
License Rights
Restricted until
Downloads
File
Description