Quantitative structure property relationship for Henry's law constant of some alkane isomers

被引：5

作者：

Sahoo, Sagarika ^{[2
]}

Patel, Sabita ^{[1
]}

Mishra, B. K. ^{[2
]}

机构：

[1] Natl Inst Technol, Dept Chem, Rourkela 769008, India

[2] Sambalpur Univ, Sch Chem, Ctr Studies Surface Sci & Technol, Jyoti Vihar 768019, Burla, India

来源：

THERMOCHIMICA ACTA | 2011年 / 512卷 / 1-2期

关键词：

Henry's law constant; QSPR; Topological indices; Multiple regression analysis; MOLECULAR-STRUCTURE; ORGANIC-COMPOUNDS; QSPR; PREDICTION;

D O I：

10.1016/j.tca.2010.10.007

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

A novel topological parameter has been derived by a bond disconnection protocol on a vertex weighted molecular graph. The parameter was correlated with other topological indices and has been applied successfully in quantitative structure property relationship (QSPR) for Henry's law constant of alkane isomers by using single and multiparametric equations separately. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：273 / 277

页数：5

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