无机含氧酸氧化性的量子化学计算与研究

QUANTUM CHEMICAL CALCULATION AND STUDY IN THE OXIDIZING POWER OF INORGANIC OXYACIDS

本文以标准电极电位Ｅ°为基准，用量子化学的ａｂｉｎｉｔｉｏ和ＭＮＤＯ方法计算的电子结构参数分析了Ｎ、Ｓ、Ｃｌ含氧酸氧化性强弱的变化规律。

This peper analyse the changeable rule of oxidizing power of oxyacids (N,S,Cl) with the electronic structure data by ab initio and MNDO calculation on the basis of standard electrode potential E°