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On Zagreb-type molecular descriptors of vanadium carbide and their applications
The European Physical Journal Plus ( IF 2.8 ) Pub Date : 2020-10-15 , DOI: 10.1140/epjp/s13360-020-00844-4
Yu-Ming Chu , Asma Khalid , Saiqa Feroz Khan , Muhammad Kamran Siddiqui , Mehwish Hussain Muhammad

Vanadium is naturally occurring fundamental element that has immense consumptions in industry and biological field. Vanadium (V) has different mineral and fossil fuel forms, most common are sandstones crude oil and coal. It is a d-transition metal, found in VA of the periodic table. Transition metal has characteristics to espouse multiple oxidation states \(+2, +3, +4, +5\) of vanadium are useful. The ground-state electronic configuration of V is \([Ar]\,\,\ 3d^{3},\,\,\ 4s^{2}\) that contain 5 valance electrons. Vanadium element converts into ions, when lose valance electron so, it’s has redox property. Chemical graph theory plays an important role in modeling and designing any chemical structure. The topological indices are the numerical invariants of a molecular graph and are very useful for predicting their physical properties. In this paper, we study the chemical graph of crystal structure of Vanadium Carbide \(V_{2}C\). Also, we compute degree-based molecular descriptors (topological indices), namely first and second Zagreb index, first and second Zagreb coindices, Hyper-Zagreb index, first and second multiple Zagreb index and Redefined Zagreb index.



中文翻译:

碳化钒的萨格勒布型分子描述符及其应用

钒是天然存在的基本元素,在工业和生物领域的消耗量很大。钒具有不同的矿物燃料和化石燃料形式,最常见的是砂岩原油和煤炭。它是一种元素周期表VA中的d-过渡金属。过渡金属具有支持钒的多个氧化态\(+ 2,+ 3,+ 4,+ 5 \)的特性。V的基态电子配置为\([Ar] \,\,\ 3d ^ {3},\,\,\ 4s ^ {2} \)包含5个价电子。钒元素转化为离子,因此失去价电子时,具有氧化还原性能。化学图论在建模和设计任何化学结构中起着重要作用。拓扑指数是分子图的数值不变性,对于预测其物理性质非常有用。在本文中,我们研究了碳化钒\(V_ {2} C \)的晶体结构的化学图。此外,我们计算基于度的分子描述符(拓扑指数),即第一和第二Zagreb指数,第一和第二Zagreb共形,Hyper-Zagreb指数,第一和第二多重Zagreb指数以及Redefined Zagreb指数。

更新日期:2020-10-16
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