A single molecule rectifier with strong push-pull coupling

Journal of Chemical Physics

Volumn 129, Issue 20, 2008, Pages

  Saraiva Souza, Aldilene ^a   MacEdo De Souza, Fabricio ^b   Aleixo, Vicente F P ^c   Girão, Eduardo Costa ^a   Filho, Josú Mendes ^a   Meunier, Vincent ^d   Sumpter, Bobby G ^d   Souza Filho, Antônio Gomes ^a   Del Nero, Jordan ^c  

^a FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^b UNIVERSITY OF BRASILIA   (Brazil)

^c FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; DIFFERENTIAL EQUATIONS; ELECTRIC FIELD EFFECTS; ELECTRIC FIELDS; GREEN'S FUNCTION; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

AB INITIO; AB INITIO CALCULATIONS; ACCEPTOR GROUPS; BRIDGE LENGTHS; CARBON BRIDGES; CONDUCTION CHANNELS; DONOR AND ACCEPTORS; DONOR GROUPS; ELECTRON STATES; ELECTRONIC CHARGES; EXTERNAL ELECTRIC FIELDS; FRONTIER MOLECULAR ORBITALS; HOMOGENEOUS DISTRIBUTIONS; LOCALIZED ORBITALS; LOWEST UNOCCUPIED MOLECULAR ORBITALS; MOLECULAR SYSTEMS; NONEQUILIBRIUM GREEN'S FUNCTIONS; PHENOMENOLOGICAL MODELS; RECTIFICATION BEHAVIORS; SINGLE MOLECULES;

ELECTRIC RECTIFIERS;

EID: 57149132045     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3020353     Document Type: Article

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