Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+ OH reaction using an ab initio potential energy …
SY Lin, H Guo, P Honvault, C Xu, D Xie - The Journal of chemical …, 2008 - pubs.aip.org
The authors report accurate quantum mechanical studies of the O+ OH reaction on the
improved Xu-Xie-Zhang-Lin-Guo potential energy surface. The differential cross section was
obtained at several energies near the reaction threshold using a time-independent method.
The dominant forward and backward peaks in the angular distribution are consistent with a
complex-forming mechanism, which is also confirmed by the extensive rotational excitation
in the O 2 product. However, the asymmetry of these peaks suggests a significant …
improved Xu-Xie-Zhang-Lin-Guo potential energy surface. The differential cross section was
obtained at several energies near the reaction threshold using a time-independent method.
The dominant forward and backward peaks in the angular distribution are consistent with a
complex-forming mechanism, which is also confirmed by the extensive rotational excitation
in the O 2 product. However, the asymmetry of these peaks suggests a significant …
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