Calculation of Langevin‐type capture rate constants for rotating molecules with arbitrary interaction potentials
作者:
Leon F. Phillips,
期刊:
Journal of Computational Chemistry
(WILEY Available online 1990)
卷期:
Volume 11,
issue 1
页码: 88-93
ISSN:0192-8651
年代: 1990
DOI:10.1002/jcc.540110111
出版商: John Wiley&Sons, Inc.
数据来源: WILEY
摘要:
AbstractApproximate classical trajectory calculations of capture rates are performed for collisions occurring under the influence of a combination of angle‐dependent and isotropic potentials. Results calculated for a wide range of temperatures are in good accord with existing data for ion‐dipole (H3++ HCN), ionquadrupole (OH−+ C2H2), dipole‐dipole (BH + NO), and dipole‐quadrupole (CN + O2)
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