Automatic Graph Construction of Periodic Open Tubulene ((5,6,7)3) and Computation of its Wiener, PI, and Szeged Indices
نویسندگان
1 University of Kashan, Iran
2 University of Kashan, Iran
doi
10.22052/ijmc.2012.5221چکیده
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.
