Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory

Journal of Physical Chemistry A

Volumn 113, Issue 13, 2009, Pages 3009-3020

  Mennucci, Benedetta ^a   Cappelli, Chiara ^a   Guido, Ciro Achille ^b   Cammi, Roberto ^c   Tomasi, Jacopo ^a  

^a UNIVERSITY OF PISA   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

^c UNIVERSITY OF PARMA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL ASPECTS; CONDENSED-PHASE; DIFFERENT SOLVENTS; EFFICIENT STRATEGIES; ELECTRONIC EXCITED STATE; GROUND-STATE; POLARIZABLE CONTINUUM MODELS; PUSH-PULL CHROMOPHORES; QUANTUM MECHANICALS; RESEARCH ACTIVITIES; SOLVENT EFFECTS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORIES;

CHROMOPHORES; COMPUTATIONAL EFFICIENCY; CONTINUUM MECHANICS; ELECTRIC EXCITATION; EXCITED STATES; MODEL STRUCTURES; PULSE CODE MODULATION;

DENSITY FUNCTIONAL THEORY;

ION;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; SOLUTION AND SOLUBILITY; TIME;

COMPUTER SIMULATION; ELECTRONS; IONS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; SOLUTIONS; TIME FACTORS;

EID: 63849084727     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8094853     Document Type: Article

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