摘要
依据Bratsch计算基团电负性的方程,根据Pauling原子电负性标度,提出了一种计算较大基团电负性的方法,该方法基于超原子思想。使用该方法做了大量的基团计算,并和引用其他文献计算结果做对比,结果表明提出的方法更加适用于计算较大的基团。
Bratsch calculated based group electronegativity equation, according to Pauling electronegativity atomic scale. Proposed a method of using the computing power of a larger group negative new method, the method was the use of super-atom thought raised. In this paper, a new method of calculation Bratsch and raised a lot of calculation and references to other literature group results do comparison, the results showed that the proposed method was more suitable for use in the calculation of the use of a larger group.
作者
李鹏
LI Peng(Shihezi University School of Medicine, Shihezi 832000, Chin)
出处
《广州化学》
CAS
2016年第5期42-45,共4页
Guangzhou Chemistry
关键词
基团
电负性
超原子
group
electronegativity
ultra-atom
