Split charge equilibration method with correct dissociation limits

Journal of Chemical Physics

Volumn 127, Issue 22, 2007, Pages

  Mathieu, Didier ^a  

^a CEA LE RIPAULT   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DENSITY; CHARGE TRANSFER; CONSTRAINT THEORY; DISSOCIATION; ELECTROCHEMICAL PROPERTIES;

ELECTRON DISTRIBUTION; REACTIVE POTENTIALS; SPLIT CHARGE EQUILIBRATION;

ELECTRONS;

ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; ELECTRICITY; ELECTROCHEMISTRY; ELECTRON TRANSPORT; METHODOLOGY;

COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTRON TRANSPORT; ELECTROSTATICS; MODELS, CHEMICAL;

EID: 37149036509     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2803060     Document Type: Article

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