Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 72, Issue 4, 2009, Pages 743-747

  Krishnakumar, V ^a   Prabavathi, N ^b  

^a PERIYAR UNIVERSITY   (India)

^b Sri Sarada College for Women   (India)

Author keywords

DFT calculation; Infrared and Raman spectra; Vibrational analysis

Indexed keywords

AROMATIC POLYMERS; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS;

BASIS SETS; DENSITY-FUNCTIONAL THEORIES; DFT CALCULATION; EXPERIMENTAL SPECTRUM; FORCE FIELDS; FT-RAMAN; FTIR; INFRARED AND RAMAN SPECTRA; LIQUID STATE; NORMAL COORDINATE ANALYSIS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM MECHANICALS; RAMAN SPECTRUM; SIMULATED SPECTRUM; SPECTRAL ANALYSIS; TOTAL ENERGY DISTRIBUTIONS; VIBRATIONAL ANALYSIS; VIBRATIONAL ASSIGNMENTS; VIBRATIONAL BANDS; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES;

INFRARED SPECTROSCOPY;

PYRAZINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; METHODOLOGY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

MOLECULAR STRUCTURE; PYRAZINES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 59449088771     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.11.012     Document Type: Article

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