Study of HCP (Hexagonal Close-Packed) Crystal Structure Lattice through Topological Descriptors
Guoping Zhang, Saadia Saeed, Adnan Aslam, Salma Kanwal, Nazeran Idrees, Tahira Sumbal Shaikh · Computational Intelligence and Neuroscience · 2022
Chemical graph theory is a multidisciplinary field where the structure of the molecule is analyzed as a graphical structure. Chemical descriptors are one of the most important ideas employed in chemical graph theory; this is to associate a numerical value with a graph structure that often has correlation with corresponding chemical properties. In this paper, we investigate another very important closed-packed usual crystal structure defined as HCP (Hexagonal Close-Packed) crystal structure and its lattice formed by arranging its unit cells in a dimension for topological descriptors based on a neighborhood degree, reverse degree, and degree. Furthermore, we classify which descriptor is more dominating.