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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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