| 新连接性指数与脂肪醇气相色谱保留指数的关系 |
| |
| 引用本文： | 金浩. 新连接性指数与脂肪醇气相色谱保留指数的关系[J]. 计算机与应用化学, 2011, 28(2): 229-233 |
| |
| 作者姓名： | 金浩 |
| |
| 作者单位： | 江苏教育学院化学系,江苏,南京,210013 |
| |
| 基金项目： | 江苏教育学院“十一五”课题基金资助项目 |
| |
| 摘 要： | 基于定量结构-色谱保留相关(QSRR)研究醇类化合物的保留性质具有重要意义.通过对脂肪醇的研究,考虑到烷基和羟基的差异,修正文献,重新定义脂肪醇分子中顶点原子特征值ti,并在邻接矩阵的基础上构建新的连接性指数mL.运用多元线性回归法,将0阶指数0L、1阶指数1L与25种脂肪醇,在6种固定相(SE-30,OV-3,OV-...
|
| 关 键 词： | 连接性指数 脂肪醇 气相色谱 保留指数 相关性 |
Relationship between a new connectivity index and gas chromatographic retention index of aliphatic alcohols |
| |
| Jin Hao. Relationship between a new connectivity index and gas chromatographic retention index of aliphatic alcohols[J]. Computers and Applied Chemistry, 2011, 28(2): 229-233 |
| |
| Authors: | Jin Hao |
| |
| Affiliation: | Jin Hao (Department of Chemistry,Jingsu Education College,Nanjin,210013,Jiangsu,China) |
| |
| Abstract: | Study on quantitative structure-retention relationship(QSRR) of aliphatic alcohols would be helpful for research on aliphatic alcohols' retention properties.Through the study on aliphatic alcohol,considering the differences between alkyl and hydroxyl,we modified the literature method and redefined the vertex atomic characteristic value t_i in aliphatic alcohol molecules.Based on the adjacent matrix,a new connectivity index ~mL was set up.Using the method of multiple linear regression,we analysized ~mL and t... |
| |
| Keywords: | connectivity index aliphatic alcohol gas chromatography retention index correlativity |
| 本文献已被 CNKI 万方数据 等数据库收录！ |
|
