Article ID Journal Published Year Pages File Type
1412011 Journal of Molecular Structure 2006 5 Pages PDF
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 (HC≡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.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
Authors
, , , ,