A unified treatment of solvent properties

被引：43

作者：

Katritzky, AR

Tamm, T

Wang, YL

Karelson, M

机构：

[1] Univ Florida, Dept Chem, Ctr Heterocycl Cpds, Gainesville, FL 32611 USA

[2] Tartu State Univ, Dept Chem, EE-51014 Tartu, Estonia

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1999年 / 39卷 / 04期

关键词：

D O I：

10.1021/ci980226+

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Principal component analysis (PCA) has been carried out with 40 solvent scales as variables, each having 40 data points for 40 solvents as objects. The first three components account for 74% of the total variance. For 36 of the scales, an average of 88% of the variance is described by the first three principal components. The solvents and the solvent scales are grouped according to the scores and loadings obtained from PCA treatment. This allows comparison of both solvent scales and characterization of individual solvents.

引用

页码：692 / 698

页数：7

共 41 条

[1] MULTIVARIATE-ANALYSIS OF SOLVOLYSIS KINETIC DATA - AN EMPIRICAL CLASSIFICATION PARALLELING CHARGE DELOCALIZATION IN THE TRANSITION-STATE [J].