|Table of Contents|

Novel Molecular Bond Connectivity Index and Its Application

《南京理工大学学报》(自然科学版)[ISSN:1005-9830/CN:32-1397/N]

Issue:
2005年05期
Page:
94-97
Research Field:
Publishing date:

Info

Title:
Novel Molecular Bond Connectivity Index and Its Application
Author(s):
CHEN Yan
Department of Chemistry,Xuzhou Education College,Xuzhou 221006,China
Keywords:
bond parameters molecular connectivity index aliphatic alkanes alcohol
PACS:
O641.4;
DOI:
-
Abstract:
On the basis of the edge of the topological figure , namely the chemistry bonds between the non-hydrogen atoms, the bond parameter ti is given, and based on it, the molecular bond connectivity index F is defined. F has a good structural selectivity for the organic compounds and high correlat ion with the boiling points of aliphatic alkanes and alcohol .The predicted results show the similarity with the experimental values of their boi-l ing points by the model .The method is easy to compute and clear in physical meaning.

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Last Update: 2013-05-29