Molecular structure, vibrational investigation of 2-chloro-α-α-α-trifluoro-3,5-dinitrotoluene using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) and UV–Vis absorption spectra in organic solvents: A IEF-PCM/TD-DFT study-Reference-Cited by-同舟云学术

Molecular structure, vibrational investigation of 2-chloro-α-α-α-trifluoro-3,5-dinitrotoluene using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) and UV–Vis absorption spectra in organic solvents: A IEF-PCM/TD-DFT study

Published:2014-04 Issue: Volume:123 Page:309-326
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:

Gayathri R.,Arivazhagan M.

Publisher

Elsevier BV

Subject

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

Reference66 articles.

1. Syndromes of toluene sniffing in adults;Streicher;Ann. Intern. Med.,1981

2. Complications of chronicglue (toluene) abuse in adolescents;Devathasan;Aust. N.Z. J. Med.,1984

3. Vogel’s Text book of Practical Organic Chemistry;Furnell,1989

4. Organic Chemistry;Wade,2003

5. FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of α,α dichlorotoluene

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