Automatic Graph Construction of Periodic Open Tubulene((5,6,7)3) and computation of its Wiener, PI, and Szeged indices

AuthorsYoosofan, Ahmad - Namazi-Fard, Mostafa
JournalIranian Journal of Mathematical Chemistry (IJMC)
Presented byUniversity of Kashan
Page number81-94
Serial number1
Volume number3
Paper TypeFull Paper
Published At2012-02-10
Journal GradeISI
Journal TypeTypographic
Journal CountryIran, Islamic Republic Of

Abstract

The mathematical properties of nano molecules are an interesting branch of nanoscience for researches nowadays. The periodic open single wall tubulene is one of the nano molecules which is built up from two caps and a distancing nanotube/neck. We discuss how to automatically construct the graph of this molecule and plot the graph by spring layout algorithm in graphviz and netwrokx packages. The similarity between the shape of this molecule and the plotted graph is a consequence of our work. Furthermore, the Wiener, Szeged and PI indices of this molecule are computed.

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