Binding at molecule/gold transport interfaces. I. Geometry and bonding

Journal of Chemical Physics

Volumn 119, Issue 22, 2003, Pages 11926-11942

  Basch, Harold ^a,b   Ratner, Mark A ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

^b BAR ILAN UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; CRYSTALLINE MATERIALS; ELECTRON ENERGY LEVELS; GOLD; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; MOLECULES; OPTIMIZATION; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION;

ALKYNE; BENZENE DITHIOL; DENSITY FUNCTIONAL METHOD; XYLYL;

INTERFACES (MATERIALS);

EID: 0347228956     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1613941     Document Type: Article

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