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Chemical Physics

Volumn 281, Issue 2-3, 2002, Pages 171-187

First-principles analysis of molecular conduction using quantum chemistry software

(3) Damle, Prashant a Ghosh, Avik W a Datta, Supriyo a

a PURDUE UNIVERSITY (United States)

Author keywords

DFT; First principles; Molecular electronics; NEGF

Indexed keywords

GOLD; THIOL DERIVATIVE;

ARTICLE; COMPUTER PROGRAM; CONDUCTANCE; DENSITY; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; ELECTRONICS; MATHEMATICAL COMPUTING; QUANTUM CHEMISTRY; QUANTUM THEORY; TECHNIQUE;

EID: 0037103052 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(02)00496-2 Document Type: Article

Times cited : (224)

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