Ab initio calculations of low-lying electronic states of vinyl chloride
Journal
Journal of Chemical Physics
Journal Volume
116
Pages
7518-7525
Date Issued
2002
Author(s)
Chang, J. L.
Abstract
The ab initio calculations of low-lying electonic states of vinyl chlorides were presented. The equilibrium geometries, vibrational frequencies, excitation energies and oscillator strengths of vinyl chloride (VC) were calculated. The simulated absorption spectrum of VC was observed to be in satisfactory agreement with the experimental results.
Type
journal article