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《Journal of Beijing University of Chemical Technology》 2005-06
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Edge valence topological study on standard entropies of chain hydrocarbons

FENG Chang-jun MU Lai-long(Department of Chemistry,Xuzhou Normal University,Jiangsu Xuzhou 221116,China)  
Edge k is formed from vertex i and j,and the eigenvalue δ_k is defined as:δ_k=4.96/(χ_(p,i)+χ_(p,j)).The edge valence δ~V_j of edge j is defined as the sum of δ_k(edge k is border upon edge j).Based on the adjacency matrix of molecular graph,the new edge valence connectivity index()~mF and it's athwart index()~mF′ were defined in this paper.Among them,()~0F,()~1F,()~0F′,()~1F′ were related with the standard entropies of 228 chain hydrocarbons(157 paraffin hydrocarbons,71 unsaturated hydrocarbons),and the correlation coefficient R was 0.999.The calculated value is agreed with the experimental value and it is better than that calculated by Thinh's group adding.
【Fund】: 江苏省高校自然科学基金(02KJB150008)
【CateGory Index】: O621.13
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