Acta Chimica Sinica ›› 1998, Vol. 56 ›› Issue (5): 423-426. Previous Articles     Next Articles

Original Articles

大气中HCO^+→COH^+异构化的理论分析

李鸿瑞;居泉;陈先阳;居冠之   

  1. 山东师范大学化学系;南京大学化学系;南京大学配位化学研究所;南京大学亚微观固态化学研究所
  • 发布日期:1998-05-15

Theoretical analysis of the isomerization HCO^+→COH^+ in the atmosphere

LI HONGRUI;JU QUAN;CHEN XIANYANG;JU GUANZHI   

  • Published:1998-05-15

On the basis of ab initio calculations, the titled isomerization has been analysed using Thermodynamics and Transition State Theory (TWT) with Wigner correction. The thermodynamic functions of the reactant, product and transition state, and the equilibrium constants, rate constants and A factor of the isomerization have been given, at normal pressure and at the temperature range from 200-2500K.

Key words: STABILITY, AB INITIO CALCULATION, ISOMERIZATION

CLC Number: