On the chaperon mechanism for association rate constants: The formation of HO2 and O-3

被引：53

作者：

Varandas, AJC

Pais, AACC

Marques, JMC

Wang, W

机构：

[1] Departamento de Química, Universidade de Coimbra, Coimbra

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 249卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(95)01384-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report rate constants for the formation of HO2 and O-3 using the chaperon mechanism, and with Ar as scattering partner. The ArHO2 and ArO3 potential energy surfaces have been written as a pairwise summation of realistic EHFACE2-type potentials for interactions involving Ar and reliable global DMBE potential surfaces for chemically stable triatomic species. The calculations have been carried out using the quasiclassical trajectory approach.

引用

页码：264 / 271

页数：8

共 29 条

[1] ABSOLUTE TOTAL ELASTIC CROSS-SECTIONS FOR COLLISIONS OF OXYGEN-ATOMS WITH RARE-GASES AT THERMAL ENERGIES [J].