Vibrational Spectra of Triiodomesitylene: Combination of DFT Calculations and Experimental Studies. Effects of the Environment-Reference-Cited by-同舟云学术

Vibrational Spectra of Triiodomesitylene: Combination of DFT Calculations and Experimental Studies. Effects of the Environment

Published:2008-10-09 Issue:44 Volume:112 Page:11124-11141
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Meinnel Jean J.¹,Boudjada Ali¹,Boucekkine Abdou¹,Boudjada Fahima¹,Moréac Alain¹,Parker Stewart F.¹

Affiliation:

1. Laboratoire Sciences Chimiques de Rennes, UMR CNRS 6226 and Laboratoire Matière Condensée et Matériaux, UMR CNRS 6226, Université de Rennes 1, 35042 Rennes, France, Laboratoire de cristallographie, Faculté des Sciences, Université de Constantine, Constantine, Algerie, and Rutherford Appleton Laboratory, ISIS Facility, Didcot OX11 0QX, U.K.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp802621w

Reference40 articles.

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4. Ab initiocalculation of force constants and equilibrium geometries

5. Ab initio calculation of the force field of ethylene

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