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本文通过Pearson提出的酸碱的绝对硬度参数(η)出发,假设取代的乙烷分子中两个相邻碳原子上所连接的基因之间存在某种吸引或排斥作用,定义出吸引参数f,排斥参数,稳定参数k,通过计算取代乙烷分子不同构象的k值,可推断出该分子不同构象的稳定性大小。
Based on Pearson’s absolute hardness parameter (η), we assume that there exists some attraction or repulsion between two adjacent carbon atoms in the substituted ethane molecule. We define the attraction parameter f, Exclusion parameter and stability parameter k can be deduced the stability of the different conformations of the molecule by calculating the k value of substitution of different conformations of ethane molecules.