TranSIESTA: A Spice for Molecular Electronics

Annals of the New York Academy of Sciences

Volumn 1006, Issue , 2003, Pages 212-226

  Stokbro, Kurt ^a,c   Taylor, Jeremy ^a   Brandbyge, Mads ^a   Ordejón, Pablo ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Density functional theory; Electron transport; First principles simulations; Molecular electronics

Indexed keywords

ALKENE DERIVATIVE; BENZENE DERIVATIVE; OLIGOMER;

ATOM; CALCULATION; CONFERENCE PAPER; CONFORMATION; ELECTRIC CONDUCTIVITY; ELECTRONICS; MOLECULAR DYNAMICS; MOLECULE;

EID: 0346059317     PISSN: 00778923     EISSN: None     Source Type: Book Series    
DOI: 10.1196/annals.1292.014     Document Type: Conference Paper

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