On Zagreb-type molecular descriptors of vanadium carbide and their applications
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On Zagreb-type molecular descriptors of vanadium carbide and their applications Yu-Ming Chu1,2,a , Asma Khalid3,b , Saiqa Feroz Khan3,c , Muhammad Kamran Siddiqui4,d , Mehwish Hussain Muhammad5,e 1 Department of Mathematics, Huzhou University, Huzhou 313000, People’s Republic of China 2 Hunan Provincial Key Laboratory of Mathematical Modeling and Analysis in Engineering, Changsha
University of Science and Technology, Changsha 410114, People’s Republic of China
3 Department of Computer Science and Engineering, Air University Multan Campus, Multan, Pakistan 4 Department of Mathematics, COMSATS University, Lahore Campus, Islamabad, Pakistan 5 College of Chemistry, School of Chemical Engineering and Energy, Zhengzhou University,
Zhengzhou 450001, China Received: 21 September 2020 / Accepted: 6 October 2020 © Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract 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 V2 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.
1 Introduction Each structural formulas that incorporate covalent bonded compounds or atoms are diagrams. Thusly, they are called molecular graphs or basic diagrams, or it’s better to state constitutional graphs. In chemistry, graph theory gives the premise to definition, numeration, systematization of the issue close by, it gives the way toward organizing laws or standards as per a framework or arranging, terminology, it gives the association between the compounds or
a e-mail: [email protected] b e-mail: [email protected] c e-mail: [email protected] d e-mail: [email protected] (corresponding author) e e-mail: [email protected]
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atoms, and PC programming. The significance graph theory for science stands fundamentally from the presence of isomerism, which is supported by chemical graph theory see details in [1,2]. In the past decades, researchers putt attention at transition met
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