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Gas-phase vibrational spectrum and molecular geometry of TeCl4

✍ Scribed by Kovács, Attila; Martinsen, Kjell-Gunnar; Konings, Rudy J. M.

Book ID
121380716
Publisher
The Royal Society of Chemistry
Year
1997
Tongue
English
Weight
438 KB
Volume
6
Category
Article
ISSN
1472-7773

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The molecular structure and vibrational spectrum of 4-chlorostyrene have been investigated by ab initio and DFT calculations combined with infrared/Raman and Inelastic Neutron Scattering (INS) spectroscopies. The molecular geometry has been optimized at different levels of theory, RHF, MP2, B3LYP an