Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach

Journal of Chemical Physics

Volumn 127, Issue 7, 2007, Pages

  Improta, Roberto ^a,b   Scalmani, Giovanni ^c   Frisch, Michael J ^c   Barone, Vincenzo ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b CNR   (Italy)

^c GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FLUORESCENCE; GROUND STATE; OPTIMIZATION; PHOSPHORESCENCE; RELAXATION TIME; SOLVENTS;

CONTINUUM MODELS; DYNAMICAL SOLVENTS; LINEAR RESPONSE (LR) MODELS;

SOLUTIONS;

ALCOHOL; COUMARIN DERIVATIVE; FORMALDEHYDE; SOLVENT; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; LUMINESCENCE; SPECTROFLUOROMETRY; STATISTICAL MODEL; THEORETICAL MODEL; TIME;

COUMARINS; ETHANOL; FORMALDEHYDE; LUMINESCENT MEASUREMENTS; MODELS, CHEMICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; SOLVENTS; SPECTROMETRY, FLUORESCENCE; TIME FACTORS; WATER;

EID: 34548058138     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2757168     Document Type: Article

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