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Empirical density functional and the adsorption of organic molecules on Si(100)

Phillips, Mick A; Besley, Nicholas; Gill, Peter; Moriarty, Philip J

Description

Ab initio computational chemistry is finding increased use in the field of surface science, particularly in the study of adsorption. For semiconductor surfaces, such studies typically employ cluster models of the substrate. However, computational expense

CollectionsANU Research Publications
Date published: 2003
Type: Journal article
URI: http://hdl.handle.net/1885/32229
Source: Physical Review B: Condensed Matter and Materials

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