Electron transport through heterocyclic molecule: Ab initio molecular orbital theory

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 326, Issue 5-6, 2004, Pages 412-416

  Cheng, W W ^a   Liao, Y X ^a   Chen, H ^a   Note, R ^b   Mizuseki, H ^b   Kawazoe, Y ^b  

^a FUDAN UNIVERSITY   (China)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

31.15.Ar; 73.23. b; 85.65.+h; DFT; Electron transport; Heterocyclic; NEGF; Step like

Indexed keywords

AROMATIC COMPOUNDS; CALCULATIONS; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; MOLECULES; ORGANIC POLLUTANTS; TRANSPORT PROPERTIES;

31.15.AR; 85.65.+H; ELECTRON TRANSPORT; HETEROCYCLIC; NEGF; STEP-LIKE;

DENSITY FUNCTIONAL THEORY;

FURAN; HETEROCYCLIC COMPOUND; PYRROLE; THIOPHENE;

AB INITIO CALCULATION; ARTICLE; ATOMIC PARTICLE; CONDUCTANCE; DENSITY FUNCTIONAL THEORY; ELECTRODE; ELECTRON TRANSPORT; ELECTRONIC SENSOR; MATHEMATICAL COMPUTING; MOLECULAR PHYSICS; STATISTICAL SIGNIFICANCE;

EID: 2942594289     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2004.04.043     Document Type: Article

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