Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer

Journal of Chemical Physics

Volumn 122, Issue 7, 2005, Pages

  Chelli, Riccardo ^a,b   Pagliai, Marco ^a,b   Procacci, Piero ^a,b   Cardini, Gianni ^a,b   Schettino, Vincenzo ^a,b  

^a UNIVERSITY OF FLORENCE   (Italy)

^b UNIVERSITY OF FLORENCE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL POTENTIAL; DENSITY FUNCTIONAL THEORY (DFT); DIPOLE MOMENTS; ELECTRONIC POLARIZATION;

CHARGE TRANSFER; DIMERS; HYDROGEN BONDS; METHANOL; OLIGOMERS; PROBABILITY DENSITY FUNCTION; WATER;

BINARY MIXTURES;

EID: 22944438399     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1851504     Document Type: Article

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