Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model

Journal of Chemical Physics

Volumn 124, Issue 9, 2006, Pages

  Scalmani, Giovanni ^a   Frisch, Michael J ^a   Mennucci, Benedetta ^b   Tomasi, Jacopo ^b   Cammi, Roberto ^c   Barone, Vincenzo ^d  

^a GAUSSIAN INC   (United States)

^b UNIVERSITY OF PISA   (Italy)

^c UNIVERSITY OF PARMA   (Italy)

^d UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMINOBENZONITRILE; NITROANILINE; POLARIZABLE CONTINUUM MODEL; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

AMMONIUM COMPOUNDS; CONTINUUM MECHANICS; DERIVATIVES; PHOTOCHEMICAL REACTIONS; POLARIZATION; SOLVENTS;

ELECTRON ENERGY LEVELS;

EID: 34547647945     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2173258     Document Type: Article

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