Theoretical study of solvent influence on the electronic absorption and emission spectra of kynurenine

International Journal of Quantum Chemistry

Volumn 111, Issue 14, 2011, Pages 3799-3804

  Benassi, Enrico ^a,b   Sherin, Peter S ^c  

^a CNR   (Italy)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c INTERNATIONAL TOMOGRAPHY CENTER   (Russian Federation)

Author keywords

absorption and emission spectra; CS INDO CI; DFT calculations; kynurenine; PCM model; proximity effect

Indexed keywords

ABSORPTION AND EMISSION SPECTRA; CS-INDO/CI; DFT CALCULATIONS; KYNURENINE; PCM MODEL; PROXIMITY EFFECTS;

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; EMISSION SPECTROSCOPY; ETHANOL; EXCITED STATES; FLUORESCENCE; METHANOL; OPTIMIZATION; SOLVENTS; WATER ABSORPTION;

ORGANIC SOLVENTS;

EID: 80052089082     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22929     Document Type: Article

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