Density functional theory studies on tautomeric stability and infrared and Raman spectra of some purine derivatives

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 68, Issue 3, 2007, Pages 823-832

  Krishnakumar, V ^a   Dheivamalar, S ^b  

^a PERIYAR UNIVERSITY   (India)

^b CAUVERY COLLEGE FOR WOMEN   (India)

Author keywords

6 Amino purine; 6 Hydroxy purine; DFT methods; FT Raman; FTIR

Indexed keywords

DERIVATIVES; DIPOLE MOMENT; FOURIER TRANSFORM INFRARED SPECTROSCOPY; OPTIMIZATION; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

6-AMINO-PURINE; 6-HYDROXY-PURINE; FORCE FIELD CALCULATIONS; TAUTOMETRIC STABILITY;

DENSITY FUNCTIONAL THEORY;

PURINE; PURINE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; INFRARED SPECTROPHOTOMETRY; ISOMERISM; RAMAN SPECTROMETRY; THERMODYNAMICS; VIBRATION;

COMPUTER SIMULATION; ISOMERISM; MODELS, CHEMICAL; PURINES; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 34848846975     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.12.066     Document Type: Article

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