2002Journalof Southwest China Normal UniversityRequires access

The Relationship Between Distance-Connective Topological Index and Physico-chemical Properties of Alkanes

Xu Jiang

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Abstract

Based on the two basic characteristics, the distance between atoms and the connectivity among atoms, a new topological index called Distance Connective index L I is proposed to describe the molecular structure of alkanes. Quantitative structure property relationships on the physicaal and chemical properties of alkanes from two through nine carbon atoms are proposed by the multiple linear regression ( M LR ) method together with the cross validation procedure. The results show that this new index has excellent structure selectivity and property relativity. Besides, it is easy to calculate this new index.

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What this paper is about

Based on the two basic characteristics, the distance between atoms and the connectivity among atoms, a new topological index called Distance Connective index L I is proposed to describe the molecular structure of alkanes. Quantitative structure property relationships on the physicaal and chemical properties of alkanes from two through nine carbon atoms are proposed by the multiple linear regression ( M LR ) method together with the cross validation procedure. The results show that this new index has excellent structure selectivity and property relativity. Besides, it is easy to calculate this new index.

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Available abstract

Based on the two basic characteristics, the distance between atoms and the connectivity among atoms, a new topological index called Distance Connective index L I is proposed to describe the molecular structure of alkanes. Quantitative structure property relationships on the physicaal and chemical properties of alkanes from two through nine carbon atoms are proposed by the multiple linear regression ( M LR ) method together with the cross validation procedure. The results show that this new index has excellent structure selectivity and property relativity. Besides, it is easy to calculate this new index.

Key concepts: Topological index, Index (typography), Property (philosophy), Theory of relativity, Topology (electrical circuits), Mathematics, Computer science, Biological system

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