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A. YOOSOFAN1, A. R. ASHRAFI2,*
Computing adjacency matrix of the molecular graph of a molecule is the first step to extract math/chemical features of that molecule. Some clusters of molecules grow up in a chain of desired length and so finding adjacency matrix of such long compounds may be so hard. The molecular graphs of carbon nanotubes, nanohorns and nanocones have this property. In this article, the molecular graph of a single-wall carbon nanohorn (SWHN) with different number of carbon atoms is automatically generated and so its adjacency matrix is calculated. Automatic drawing by graphviz, an open source and free software for drawing graph, generate shape of SWHN.
Automatic graph generation, Nanohorn, SWHN, Wiener index.
A. YOOSOFAN, A. R. ASHRAFI, Automatic generation of adjacency matrix of single-wall carbon nanohorn, Optoelectronics and Advanced Materials - Rapid Communications, 4, 6, June 2010, pp.900-901 (2010).
Submitted at: Aug. 13, 2009
Accepted at: June 16, 2010
Optoelectronics and Advanced Materials - Rapid Communications
(2023): 0.5 - 2023 Journal Citation Reports (Clarivate Analytics, 2024)
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