Vibrational spectra and computational study of 3-amino-2-phenyl quinazolin-4(3H)-one

Journal of Molecular Structure

Volumn 963, Issue 2-3, 2010, Pages 137-144

  Panicker, C Yohannan ^a   Varghese, Hema Tresa ^b   Ambujakshan, K R ^c   Mathew, Samuel ^d   Ganguli, Subarna ^e   Nanda, Ashis Kumar ^f   Van Alsenoy, Christian ^g   Mary, Y Sheena ^h  

^a TKM COLLEGE OF ARTS AND SCIENCE   (India)

^b FATIMA MATA NATIONAL COLLEGE   (India)

^c MES Ponnani College   (India)

^d Mar Thoma College   (India)

^e Calcutta Institute of Technology   (India)

^f UNIVERSITY OF NORTH BENGAL   (India)

^g UNIVERSITY OF ANTWERP   (Belgium)

^h NONE   (India)

Author keywords

DFT calculations; HF; IR; PED; Quinazoline; Raman

Indexed keywords

BASIS SETS; CHARGE TRANSFER INTERACTION; COMPUTATIONAL STUDIES; DFT CALCULATION; DOUBLE BONDS; EXPERIMENTAL DATA; FIRST HYPERPOLARIZABILITIES; FT-IR SPECTRUM; FT-RAMAN; GEOMETRICAL PARAMETERS; INFRARED INTENSITY; MASS SPECTRA; NORMAL MODES; POTENTIAL ENERGY DISTRIBUTION; QUINAZOLINES; RAMAN ACTIVITIES; RED SHIFT; STRETCHING MODES; TITLE COMPOUNDS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

CHARGE TRANSFER; ION EXCHANGE; MASS SPECTROMETRY; SULFUR COMPOUNDS;

PROBABILITY DENSITY FUNCTION;

EID: 73649138518     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.10.026     Document Type: Article

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