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Predicting the Boiling Point of Alkane and Cycloalkane using a Novel Molecular Structure Information Connectivity Index
Author(s): 
Pages: 77-84
Year: Issue:  1
Journal: JOURNAL OF SHENZHEN UNIVERSITY (SCIENCE & ENGINEERING)

Keyword:  原子特征值结构信息连接性指数烷烃环烷烃沸点;
Abstract: 根据分子中原子的特性和连接性,提出一种新的结构信息连接性指数mE,其中1E对烷烃和环烷烃异构体有较强的区分能力.该法用于研究饱和链烷烃类和环烷烃类化合物的沸点,获得较满意结果.与其他已有的拓扑指数比较,该指数结构选择性和相关性好.对链烷烃和环烷烃沸点的实验与计算平均误差为1.14%.
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