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Automatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices
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نویسنده
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YOOSOFAN AHMAD ,NAMAZI-FARD MOSTAFA
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منبع
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iranian journal of mathematical chemistry - 2012 - دوره : 3 - شماره : 1 - صفحه:81 -94
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چکیده
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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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کلیدواژه
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Open tubulene ,topological index ,Szeged index ,Wiener index ,PI index
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آدرس
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university of kashan, ایران, university of kashan, ایران
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Authors
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