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Journal of Chemical Physics

Volumn 115, Issue 10, 2001, Pages 4776-4786

Interaction of short-chain alkane thiols and thiolates with small gold clusters: Adsorption structures and energetics

(5) Krüger, Daniel a Fuchs, Harald a Rousseau, Roger b Marx, Dominik c Parrinello, Michele d

a UNIVERSITY OF MÜNSTER (Germany)

b NATIONAL RESEARCH COUNCIL CANADA (Canada)

c RUHR UNIVERSITY BOCHUM (Germany)

d MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; BINDING ENERGY; CALCULATIONS; CARBON; CORRELATION METHODS; ELECTRONIC STRUCTURE; GOLD; MOLECULAR DYNAMICS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; SULFUR;

ADSORPTION STRUCTURE; BECKE-PERDEW SEMILOCAL DENSITY FUNCTIONAL; BECKE-PREDEW FUNCTIONAL; ENERGETICS; GOLD-SULFUR BONDING; HARTREE-FOCK METHOD;

CHEMICAL BONDS;

EID: 0035828361 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1386806 Document Type: Article

Times cited : (137)

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