Vibrational spectral analysis, computation of thermodynamic functions for various temperatures and NBO analysis of 2,3,4,5-tetrachlorophenol using ab initio HF and DFT calculations-Reference-Cited by-同舟云学术

Vibrational spectral analysis, computation of thermodynamic functions for various temperatures and NBO analysis of 2,3,4,5-tetrachlorophenol using ab initio HF and DFT calculations

Published:2013-01 Issue: Volume:101 Page:356-369
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Balachandran V.,Rajeswari S.,Lalitha S.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference37 articles.

1. Advanced Organic Chemistry;Jerry,2004

2. A Text book of Organic Chemistry;Bahl,2001

3. The vibrational spectrum and torsion of phenol

4. The vibrational spectra of phenol and phenol-OD

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