Novel Molecular Bond Connectivity Index and Its Application
Yan Chen
Abstract
Yan Chen
Abstract
On the basis of the edge of the topological figure,namely the chemistry bonds between the non-hydrogen atoms,the bond parameter t_i 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 correlation with the boiling points of aliphatic alkanes and alcohol.The predicted results show the similarity with the experimental values of their boiling points by the model.The method is easy to compute and clear in physical meaning.
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On the basis of the edge of the topological figure,namely the chemistry bonds between the non-hydrogen atoms,the bond parameter t_i 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 correlation with the boiling points of aliphatic alkanes and alcohol.The predicted results show the similarity with the experimental values of their boiling points by the model.The method is easy to compute and clear in physical meaning.
Key concepts: Boiling point, Topological index, Hydrogen bond, Index (typography), Bond, Similarity (geometry), Chemistry, Statistical physics