Topological modeling of 1-Pentagon carbon nanocones – topological efficiency and magic sizes
نویسندگان
چکیده
منابع مشابه
Topology of 1-pentagon carbon nanocones - Topological efficiency and magic sizes
In this article topological modeling techniques have been applied to the study of one pentagon carbon nanocones (apical angle 19°) to derive important results about preferred sizes and chemical reactivity. This theoretical model looks to the nanocone just like a 3-connected graph and considers the topological efficiency (or topological roundness) of such a system as the longrange topological po...
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Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...
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ژورنال
عنوان ژورنال: Fullerenes, Nanotubes and Carbon Nanostructures
سال: 2018
ISSN: 1536-383X,1536-4046
DOI: 10.1080/1536383x.2018.1437543