CALCULATION OF LANGEVIN-TYPE CAPTURE RATE CONSTANTS FOR ROTATING MOLECULES WITH ARBITRARY INTERACTION POTENTIALS

被引：19

作者：

PHILLIPS, LF

机构：

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1990年 / 11卷 / 01期

关键词：

D O I：

10.1002/jcc.540110111

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Approximate 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) reactions. Copyright © 1990 John Wiley & Sons, Inc.

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页码：88 / 93

页数：6

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