FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 75, Issue 5, 2010, Pages 1552-1558

  Ramalingam, S ^a   Periandy, S ^b   Govindarajan, M ^c   Mohan, S ^d  

^a A V C COLLEGE AUTONOMOUS   (India)

^b Tagore Arts College   (India)

^c Avvaiyar Government College for Women   (India)

^d PRIST UNIVERSITY   (India)

Author keywords

Density functional theory; Hartree Fock; Nicotinamide; Vibrational study

Indexed keywords

AB INITIO; BASIS SETS; BOND ANGLE; CHARACTERISTIC REGIONS; DENSITY-FUNCTIONAL METHODS; EXPERIMENTAL VALUES; FT-RAMAN VIBRATIONAL SPECTRA; FTIR AND FT-RAMAN SPECTRA; GEOMETRIC PARAMETER; HARTREE-FOCK; LIQUID PHASE; NICOTINAMIDE; SPECTROSCOPIC DATA; THEORETICAL SPECTRA; THEORETICAL STUDY; VIBRATIONAL BANDS; VIBRATIONAL FREQUENCIES; VIBRATIONAL STUDY;

AMIDES; MOLECULES; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SURFACE STRUCTURE;

DENSITY FUNCTIONAL THEORY;

NICOTINAMIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; VIBRATION;

MODELS, CHEMICAL; MOLECULAR CONFORMATION; NIACINAMIDE; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 77950297508     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.02.015     Document Type: Article

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