HSiO^+→HOSi^+重排反应力学量的理论计算

THE THEORETICAL COMPUTATION OF THE THERMODYNAMIC QUANTITY AND DYNAMIC QUANTITY FOR REARRANGEMENT REACTION OF HSiO^+→HOSi^+

采用统计力学和过渡态理论的研究方法,计算了HSiO^+→HOSi重排反应的动力学和热力学量,计算结果对进一步研究该反应的机理提供了理论依据。

The thermodynamic and dynamic quantity for the rearrangement reaction of HSiO^+→HOSi^+ were computed by using statistical mechanics and transition-state theory. The computed results give theoretical evidence for further studying the mechanism of the reaction.