| Literature DB >> 19908862 |
Abstract
Quasiclassical trajectories on an ab initio potential energy surface show that a stereodynamical effect steers the F atom away from the stretching-excited CH bond, thereby promoting the DF + CHD(2) product channel of the F + CHD(3)(nu(1) = 1) reaction at low collision energies. This explains the unexpected results of a recent crossed molecular beam experiment.Entities:
Year: 2009 PMID: 19908862 DOI: 10.1021/ja906886z
Source DB: PubMed Journal: J Am Chem Soc ISSN: 0002-7863 Impact factor: 15.419