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双原子分子的键长与原子结构之间定量关系的研究
引用本文:王克强.双原子分子的键长与原子结构之间定量关系的研究[J].商丘师范学院学报,1998(Z1).
作者姓名:王克强
作者单位:华东理工大学化学系!上海,200237
基金项目:河南省优秀中青年骨干教师基金
摘    要:根据原子结构的特点,探讨了双原子分子的键长与组成双原子分子的原子结构之间的关系,发现双原子分子的键长与组成双原子分子的原子结构之间存在着良好的定量关系,据此提出一种直接根据原子结构预测双原子分子键长的方法.结构表明,预测值与实验值的一致性令人满意,平均误差0.0058nm.

关 键 词:键长  原子结构  结构性能关系  定量关系

STUDIES ON THE QUANTITATIVE RELATION BETWEEN BOND LENGTH OF DIATONMIC MOLECULES AND ATOMIC STRUCTURE
Wang Keqiang.STUDIES ON THE QUANTITATIVE RELATION BETWEEN BOND LENGTH OF DIATONMIC MOLECULES AND ATOMIC STRUCTURE[J].Journal of Shangqiu Teachers College,1998(Z1).
Authors:Wang Keqiang
Abstract:Based on the characteristics of atomic structure,the relation between bond lengthof diatomic molecules and atomic structure was studied,and a new method was developedthat can be used to characterize the relationship between bond lenghth and atomic structure,and to predict the bond length of diatomic molecules. The calculated results showed that thepredicted values of bond length are in good agreement with the experimental data.
Keywords:bond length  atomic structure  structure-property relationship  quantitative relation
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