Study of HCP (Hexagonal Close-Packed) Crystal Structure Lattice through Topological Descriptors.
Comput Intell Neurosci
; 2022: 6069666, 2022.
Article
en En
| MEDLINE
| ID: mdl-37705998
ABSTRACT
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.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Comput Intell Neurosci
Asunto de la revista:
INFORMATICA MEDICA
/
NEUROLOGIA
Año:
2022
Tipo del documento:
Article
País de afiliación:
China