ON THE SEARCH FOR THE BEST CORRELATION BETWEEN GRAPH-THEORETICAL INVARIANTS AND PHYSICOCHEMICAL PROPERTIES

被引：12

作者：

MORALES, DA ^{[1
]}

ARAUJO, O ^{[1
]}

机构：

[1] UNIV LOS ANDES,FAC CIENCIAS,DEPT MATEMAT,MERIDA 5101,VENEZUELA

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 1993年 / 13卷 / 02期

关键词：

D O I：

10.1007/BF01165556

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We have examined the correlation of the Randic connectivity index with the Hosoya topological index, the Wiener number and the molecular identification number in search of the optimal functional relation between those indices and the boiling points of alkanes. We found that some functional relations used empirically in the literature can be understood using the known fact that the Randic connectivity index is the most successful single descriptor of molecular structure.

引用

页码：95 / 106

页数：12

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