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Iranian Journal of Mathematical Chemistry
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YOOSOFAN, A., NAMAZI−FARD, M. (2012). Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices. Iranian Journal of Mathematical Chemistry, 3(1), 81-94. doi: 10.22052/ijmc.2012.5221
A. YOOSOFAN; M. NAMAZI−FARD. "Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices". Iranian Journal of Mathematical Chemistry, 3, 1, 2012, 81-94. doi: 10.22052/ijmc.2012.5221
YOOSOFAN, A., NAMAZI−FARD, M. (2012). 'Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices', Iranian Journal of Mathematical Chemistry, 3(1), pp. 81-94. doi: 10.22052/ijmc.2012.5221
YOOSOFAN, A., NAMAZI−FARD, M. Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices. Iranian Journal of Mathematical Chemistry, 2012; 3(1): 81-94. doi: 10.22052/ijmc.2012.5221

Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices

Article 9, Volume 3, Issue 1, Winter and Spring 2012, Page 81-94  XML PDF (1155 K)
Document Type: Research Paper
DOI: 10.22052/ijmc.2012.5221
Authors
A. YOOSOFAN; M. NAMAZI−FARD
University of Kashan, Iran
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.
Keywords
Open tubulene; Topological index; Szeged index; Wiener index; PI index
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