Charge mobility in molecules: Charge fluxes from second derivatives of the molecular dipole

Journal of Chemical Physics

Volumn 138, Issue 16, 2013, Pages

  Galimberti, Daria ^a   Milani, Alberto ^a   Castiglioni, Chiara ^a  

^a POLITECNICO DI MILANO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE MOBILITIES; DEGREE OF LOCALIZATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; MOLECULAR DIPOLE; MOLECULAR DIPOLE MOMENT; MOLECULAR ENVIRONMENT; NON-PLANAR MOLECULES; SECOND DERIVATIVES;

DENSITY FUNCTIONAL THEORY; NUMERICAL METHODS;

MOLECULES;

ACETYLENE; ETHANE; FORMALDEHYDE; HYDROGEN CYANIDE;

CHEMISTRY; QUANTUM THEORY; ARTICLE;

ACETYLENE; ETHANE; FORMALDEHYDE; HYDROGEN CYANIDE; QUANTUM THEORY;

EID: 84877266931     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4802009     Document Type: Article

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