Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1412011 | Journal of Molecular Structure | 2006 | 5 Pages |
Abstract
We have applied a model using quantum indirect relaxation [P. Blaise, et al., J. Chem. Phys. 122 (2005) 64306] to unpolarized νX-H infrared (IR) lineshapes of centrosymmetric cyclic (HCâ¡CCOOH/D)2 and (H2C=HCOOH/D)2 in gaseous phase. The approach reproduces satisfactorily the main features of the experimental lineshapes by using a minimum number of independent parameters.
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Organic Chemistry
Authors
Mohamed El-Amine Benmalti, Didier Chamma, Paul Blaise, Olivier Henri-Rousseau,