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Irregularities of TUC4 and TUAC6 nanotubes
Mathematical Methods in the Applied Sciences ( IF 2.9 ) Pub Date : 2020-09-21 , DOI: 10.1002/mma.6900
Wei Gao 1 , Abaid ur Rehman Virk 2
Affiliation  

A graph is said to be regular if all its vertices have the same degree, otherwise, it is irregular. Irregularity indices are usually used for quantitative characterization of the topological structure of nonregular graphs. In numerous applications and problems in material engineering and chemistry, it is useful to be aware that how irregular a molecular structure is. Furthermore, evaluations of the irregularity of underline molecular graphs could be valuable for QSAR/QSPR studies, and for the expressive determines of chemical and physical properties, such as enthalpy of vaporization, toxicity, resistance, entropy, melting, and boiling points. In this paper, we find some irregularity measures of nanotubes. We compute 16 irregularities of TUC4 and TUAC6 nanotubes. We also compare the computed irregularities by plotting our results using software Mathematica.

中文翻译:

TUC4 和 TUAC6 纳米管的不规则性

如果一个图的所有顶点都具有相同的度数,则称它是规则的,否则,它是不规则的。不规则指数通常用于非规则图拓扑结构的定量表征。在材料工程和化学中的许多应用和问题中,了解分子结构的不规则性是很有用的。此外,评估下划线分子图的不规则性对于 QSAR/QSPR 研究以及化学和物理性质的表达确定(如汽化焓、毒性、阻力、熵、熔点和沸点)可能很有价值。在本文中,我们发现了一些纳米管的不规则测量。我们计算了T U C 4T的 16 个不规则性U A C 6纳米管。我们还通过使用软件 Mathematica 绘制我们的结果来比较计算的不规则性。
更新日期:2020-09-21
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