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|Title:||Estrada index of acyclic molecules|
|Abstract:||A structure-descriptor EE, recently proposed by Estrada, is examined. If λ₁, λ₂,..., λո are the eigenvalues of the molecular graph, then EE=Ʃeλi . In the case of trees with n vertices (that are the graph representations of alkane isomers CռH2ռ₊₂), the main structural factor influencing the differences between the EE-values has been found to be the Zagreb index Zg. The coefficient b in the regression line EE = a Zg + b is an almost perfectly linear function of n, implying that in the case of alkanes, EE linearly increases with the number of carbon atoms.|
|Appears in Collections:||IJC-A Vol.46A(05) [May 2007]|
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|IJCA 46A(5) (2007) 723-728.pdf||212.36 kB||Adobe PDF||View/Open|
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