@Article{JAMS-6-243,
author = {Wang , Yu-PingYan , Peng-XiuLi , Yi-Da and Wang , Dun-You},
title = {Time-Dependent Quantum Dynamics Study of the $F+CD_4→DF+CD_3$ Reaction},
journal = {Journal of Atomic and Molecular Sciences},
year = {2015},
volume = {6},
number = {4},
pages = {243--253},
abstract = {<p style="text-align: justify;">A four-degrees-of-freedom, time-dependent quantum wave packet propagation
method is employed to study the $F+CD_4→DF+CD_3$ reaction. The calculations
show a common resonance peak appears in the reaction probabilities, which
verifies the prediction of such resonance from experiment. For $F+CD_4,$ the vibrational
excitations of the $C$-$H$ stretching mode enhance the reactivity, whereas the $C$-$X$ umbrella vibrational excitations hinder the reaction; and the translational energy is
more effective than vibrational energy at very lower collision energy, and less effective
than the vibrational energy at most energy range. So for this endoergic early barrier
reaction, the Polanyi rules cannot be extended to this poly-atomic reaction except at
very low collision energy.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.091615.102815a},
url = {http://global-sci.org/intro/article_detail/jams/8277.html}
}