Vibrational spectral assignments of paraldehyde by ab initio and density functional methods

Journal of Molecular Modeling

Volumn 14, Issue 5, 2008, Pages 375-383

  Gunasekaran, Sethu ^a   Arunbalaji, Ramadoss ^a   Kumaresan, Subramanian ^b   Seshadri, Srinivasan ^c   Muthu, Sambantham ^d  

^a PACHAIYAPPA S COLLEGE   (India)

^b Arulmigu Meenakshi Amman College of Engineering   (India)

^c Sri ChandraSekarendira Viswa Maha Vidyalaya ^*  (India)

^d SRI VENKATESWARA COLLEGE OF ENGINEERING   (India)

Author keywords

Ab initio; DFT; FTIR; Laser Raman spectra; Paraldehyde; Vibrational analysis

Indexed keywords

PARALDEHYDE;

AB INITIO CALCULATION; ARTICLE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; GEOMETRY; INFRARED SPECTROSCOPY; LIGHT SCATTERING; PRIORITY JOURNAL; RAMAN SPECTROMETRY; SPECTROSCOPY; VIBRATION;

LASERS; MATHEMATICAL COMPUTING; MODELS, MOLECULAR; PARALDEHYDE; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 41549139652     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0281-4     Document Type: Article

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