A New Tool for QSPR Researches: ev-degree Randić Index

Yıl 2017, Cilt: 13 Sayı: 3, 615 - 618, 30.09.2017

Süleyman Ediz

https://doi.org/10.18466/cbayarfbe.339313

Cited By: 15

Öz

Topological indices have important role in theoretical chemistry
for QSPR researches. Among the all topological indices the Randić index has
been used more considerably than any other topological indices in chemical and
mathematical literature. Most of the topological indices as in the Randić index
are based on the degrees of the vertices of a connected graph. Recently novel
two degree concepts have been defined in graph theory; ev-degrees and ve-degrees.
In this study ev-degree Randić index is defined by using ev-degree concept as
parallel to their corresponding classical degree version. This new ev-degree
Randić index is compared with the Randić index by modelling some
physicochemical properties of octane isomers. It is showed that the ev-degree
Randić index give better correlation than the Randić index to predict the
entropy, acentric factor and  standard
enthalpy of vaporization of octanes.  Also
the exact values of the ev-degree Randić index for the well-known graph classes
such as; paths, cycles, stars and complete graphs are given.

Anahtar Kelimeler

ev-degree Randić index, octane isomers, QSPR studies, Randić index, topological indices

Kaynakça

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