Infrared, Raman and electronic spectra of alanine: A comparison with ab intio calculation

Journal of Molecular Structure

Volumn 791, Issue 1-3, 2006, Pages 23-29

  Kumar, Santosh ^a   Kumar Rai, Amareshwar ^a   Rai, S B ^a   Rai, D K ^a   Singh, A N ^a   Singh, V B ^b  

^a BANARAS HINDU UNIVERSITY   (India)

^b UDAI PRATAP AUTONOMOUS COLLEGE   (India)

Author keywords

Ab initio method; CIS; Infrared and Raman spectra; Rotational constants; Zwitterionic form

Indexed keywords

ELECTRON ENERGY LEVELS; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; REACTION KINETICS; SOLUTIONS;

AB INITIO METHOD; CIS; ROTATIONAL CONSTANTS; VIBRATIONAL FREQUENCIES; ZWITTERIONIC FORM;

AMINO ACIDS;

EID: 84962367226     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.01.004     Document Type: Article

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