Abstract
Abstract The orientation-dependent wave packet dynamics was investigated for the dissociative energy transfer reaction : CF3H + Ar(3P) → CF3* + H + Ar. Wave packets were propagated numerically by the Chebychev scheme recently developed by Kosloff et al. The calculation was done for the two orientations of CF3H, one is the H-end orientation and another is the CF3-end orientation under the collinear geometry. The results showed clear orientation dependence in the dissociation process. The H-end orientation seems to give a quantum effect, while the CF3-end does not.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.