TY - JOUR

T1 - On M-polynomial-based topological descriptors of chemical crystal structures and their applications

AU - Chu, Yu Ming

AU - Imran, Muhammad

AU - Baig, Abdul Qudair

AU - Akhter, Shehnaz

AU - Siddiqui, Muhammad Kamran

N1 - Funding Information:
The research was supported by the National Natural Science Foundation of China (Grant Nos. 11971142, 11871202, 61673169, 11701176, 11626101, 11601485). Also this research is supported by UPAR Grants of United Arab Emirates University(UAEU), Al Ain, UAE via Grants No. G00002590 and G00003271.
Publisher Copyright:
© 2020, Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature.

PY - 2020/11/1

Y1 - 2020/11/1

N2 - A graph in which atoms are taken as vertices and bonds among atoms can be presented by edges is recognized as a molecular graph. For such molecular graphs, we can investigate the topological descriptors and topological polynomials providing their bioactivity as well as their physio-chemical characteristics. These topological descriptors are the numerical quantities of the molecular graph that discuss its topology and are usually graph invariants. Let mab(H) where a, b≥ 1 be the cardinality of edges uv in H such that (Γ u, Γ v) = (a, b). M-polynomial for H can be computed by the relation M(H;z1,z2)=∑a≤bmab(H)z1az2b.More preciously in this article, various molecular topological structure invariants of vital significance, known as first, second, modified and augmented Zagreb indices, inverse and general Randić indices, symmetric division, harmonic, inverse sum index and forgotten indices of chemical structures namely crystal cubic carbon CCC (n) and carbon graphite structure CG (m, n) are figured out and recovered applying general technique of topological polynomials.

AB - A graph in which atoms are taken as vertices and bonds among atoms can be presented by edges is recognized as a molecular graph. For such molecular graphs, we can investigate the topological descriptors and topological polynomials providing their bioactivity as well as their physio-chemical characteristics. These topological descriptors are the numerical quantities of the molecular graph that discuss its topology and are usually graph invariants. Let mab(H) where a, b≥ 1 be the cardinality of edges uv in H such that (Γ u, Γ v) = (a, b). M-polynomial for H can be computed by the relation M(H;z1,z2)=∑a≤bmab(H)z1az2b.More preciously in this article, various molecular topological structure invariants of vital significance, known as first, second, modified and augmented Zagreb indices, inverse and general Randić indices, symmetric division, harmonic, inverse sum index and forgotten indices of chemical structures namely crystal cubic carbon CCC (n) and carbon graphite structure CG (m, n) are figured out and recovered applying general technique of topological polynomials.

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U2 - 10.1140/epjp/s13360-020-00893-9

DO - 10.1140/epjp/s13360-020-00893-9

M3 - Article

AN - SCOPUS:85094663334

SN - 2190-5444

VL - 135

JO - European Physical Journal Plus

JF - European Physical Journal Plus

IS - 11

M1 - 874

ER -