Spectroscopic investigation, computed IR intensity, Raman activity and vibrational frequency analysis on 3-bromoanisole using HF and DFT (LSDA/MPW1PW91) calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 2, 2011, Pages 835-843

  Ramalingam, S ^a,b   Periandy, S ^c  

^a PRIST UNIVERSITY   (India)

^b A V C COLLEGE AUTONOMOUS   (India)

^c Tagore Arts College   (India)

Author keywords

3 Bromoanisole; Density functional theory; LSDA; MPW1PW91; Vibrational frequencies

Indexed keywords

3-BROMOANISOLE; DENSITY FUNCTIONALS; LSDA; MPW1PW91; VIBRATIONAL FREQUENCIES;

MOLECULAR VIBRATIONS; MOLECULES; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS;

DENSITY FUNCTIONAL THEORY;

ANISOLE DERIVATIVE;

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

ANISOLES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 79151476720     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.12.043     Document Type: Article

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