Theoretical investigation on molecular rectification on the basis of asymmetric substitution and proton transfer reaction

Journal of Chemical Physics

Volumn 129, Issue 22, 2008, Pages

  Liu, Hongmei ^a   Li, Peng ^a   Zhao, Jianwei ^a   Yin, Xing ^a   Zhang, Haoli ^b  

^a NANJING UNIVERSITY   (China)

^b LANZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; CHEMICAL REACTIONS; DENSITY FUNCTIONAL THEORY; DIFFERENTIAL EQUATIONS; FUNCTIONAL GROUPS; GREEN'S FUNCTION; MOLECULAR MODELING; MOLECULAR ORBITALS; NANOWIRES; ORGANIC POLYMERS; PROTONS; QUANTUM CHEMISTRY; SIZE DISTRIBUTION; WIRE;

ASYMMETRIC SUBSTITUTIONS; GREEN'S FUNCTION METHODS; MOLECULAR RECTIFICATIONS; MOLECULAR WIRES; NON EQUILIBRIUMS; RECTIFICATION RATIOS; SPATIAL DISTRIBUTION OF; THEORETICAL CALCULATIONS; TRANSFER REACTIONS; TRIPLE BONDS;

PROTON TRANSFER;

ACETYLENE; BIPHENYLACETYLENE; DRUG DERIVATIVE; PROTON; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRODE; QUANTUM THEORY;

ACETYLENE; ELECTRODES; MODELS, CHEMICAL; PROTONS; QUANTUM THEORY;

EID: 57649238782     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3030949     Document Type: Article

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