A time-dependent polarizable continuum model: Theory and application

Journal of Chemical Physics

Volumn 122, Issue 15, 2005, Pages

  Caricato, Marco ^a   Ingrosso, Francesca ^b   Mennucci, Benedetta ^b   Tomasi, Jacopo ^b  

^a SCUOLA NORMALE SUPERIORE   (Italy)

^b UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMIC (MD) SIMULATIONS; N,N-DIMETHYL-ANILINE; POLARIZABLE CONTINUUM MODEL (PCM); TIME-DEPENDENT TREATMENT;

ACETONITRILE; BOUNDARY CONDITIONS; BOUNDARY ELEMENT METHOD; CONTINUUM MECHANICS; DIELECTRIC MATERIALS; ELECTRIC FIELDS; FOURIER TRANSFORMS; ITERATIVE METHODS; LINEAR EQUATIONS; MOLECULAR DYNAMICS; OSCILLATIONS; POISSON EQUATION; POLARIZATION; QUANTUM THEORY;

SOLVENTS;

EID: 20844435585     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1879952     Document Type: Article

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