FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 1, 2011, Pages 161-168

  Arivazhagan, M ^a   Jeyavijayan, S ^b  

^a AA Govt Arts College   (India)

^b J J COLLEGE OF ENGINEERING AND TECHNOLOGY   (India)

Author keywords

ab initio; DFT calculations; FT Raman; FTIR; Xanthine

Indexed keywords

AB INITIO; DFT CALCULATIONS; FT-RAMAN; FTIR; XANTHINE;

DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORMS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

CALCULATIONS;

XANTHINE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS; VIBRATION;

HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION; XANTHINE;

EID: 79955657115     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.02.029     Document Type: Article

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