Quantum chemical calculations to reveal the relationship between the chemical structure and the fluorescence characteristics of phenylquinolinylethynes and phenylisoquinolinylethynes derivatives, and to predict their relative fluorescence intensity

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 74, Issue 5, 2009, Pages 1077-1083

  Riahi, Siavash ^a   Beheshti, Abolghasem ^a   Ganjali, Mohammad Reza ^a,b   Norouzi, Parviz ^a,b  

^a UNIVERSITY OF TEHRAN   (Iran)

^b TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

Author keywords

Chemometrics; Fluorescence characteristics; QSPR; Quantum chemical descriptors; Relative fluorescence intensity (RFI); SVM

Indexed keywords

CALCULATIONS; EXCITED STATES; FLUORESCENCE; GENETIC ALGORITHMS; LINEAR REGRESSION; MEAN SQUARE ERROR; QUANTUM CHEMISTRY; QUANTUM THEORY; STRUCTURE (COMPOSITION); SUPPORT VECTOR MACHINES; CHEMICAL COMPOUNDS;

CHEMOMETRICS; FLUORESCENCE CHARACTERISTICS; QSPR; QUANTUM CHEMICAL DESCRIPTORS; RELATIVE FLUORESCENCE INTENSITY (RFI); RELATIVE FLUORESCENCE INTENSITY; SVM;

CHEMICAL COMPOUNDS; SUPPORT VECTOR MACHINES;

QUINOLONE DERIVATIVE;

ABSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; FLUORESCENCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM THEORY; REGRESSION ANALYSIS;

ABSORPTION; FLUORESCENCE; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY; QUINOLONES; REGRESSION ANALYSIS;

EID: 75549084069     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.09.011     Document Type: Article

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