Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations-Reference-Cited by-同舟云学术

Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations

Published:2011-11 Issue:1 Volume:82 Page:79-90
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:

Ramalingam S.,Jayaprakash A.,Mohan S.,Karabacak M.

Publisher

Elsevier BV

Subject

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

Reference47 articles.

1. Toxicology and Epidemiology of 1,3-Butadiene

2. Ab initio study of small organic azides

3. Phase diagram and crystal phases of trans-1,3 butadiene probed by FTIR and Raman spectroscopy

4. Solubility of Solid 2-Methyl-1,3-butadiene (Isoprene) in Liquid Argon and Nitrogen at the Standard Boiling Points of the Solvents

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