Research of electronic absorption spectra of benzazols derivatives by ab initio calculations

International Journal of Quantum Chemistry

Volumn 108, Issue 14, 2008, Pages 2700-2710

  Irgibaeva, I S ^a   Birimzhanova, D A ^a   Barashkov, N N ^b  

^a L N GUMILYOV EURASIAN NATIONAL UNIVERSITY   (Kazakhstan)

^b Micro Tracers Inc   (United States)

Author keywords

Derivatives of benzazols; Electronic spectra; Intramolecular proton transfer; Stokes shift

Indexed keywords

AB INITIO CALCULATIONS; BASIS SETS; ELECTRONIC ABSORPTIONS; ELECTRONIC SPECTRA; INTRAMOLECULAR PROTON TRANSFER; INTRAMOLECULAR PROTON TRANSFERS; SPECTRALLUMINESCENT PROPERTIES; STOKES SHIFT; STOKES SHIFTS; TDDFT METHODS;

DENSITY FUNCTIONAL THEORY; KETONES; PROTONS;

PROTON TRANSFER;

EID: 55349102354     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21819     Document Type: Article

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