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A study of the reactions of molecular hydrogen with small gold clusters

Varganov, Sergey A.; Olson, Ryan M.; Gordon, Mark S.; Mills, Greg; Metiu, Horia


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.

CollectionsANU Research Publications
Date published: 2004-03-15
Type: Journal article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1647118


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