Computational chemistry for molecular electronics

Computational Materials Science

Volumn 28, Issue 2, 2003, Pages 321-341

  Krstic P S ^a   Dean, D J ^a   Zhang, X G ^a   Keffer, D ^b   Leng, Y S ^c   Cummings, P T ^c,d   Wells, J C ^d  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b University of Tennessee Knoxville   (United States)

^c VANDERBILT UNIVERSITY   (United States)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

Conductance; DFT; MD; Molecular electronic; SAM formation

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRIC CONDUCTANCE; MOLECULAR DYNAMICS; MOLECULES; MONOLAYERS; MONTE CARLO METHODS; SELF ASSEMBLY;

SELF-ASSEMBLED MONOLAYERS (SAM);

ELECTRONIC STRUCTURE;

EID: 0141904595     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(03)00116-2     Document Type: Conference Paper

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