Molecular modelling and structural characterisation of three types dominating David derived networks

Graphs give a mathematical model of molecules and are used extensively in chemical investigation. Strategically, selections of graph invariants (formerly called “topological indices” (TIs) or “molecular structure descriptors”) are used in the mathematical modelling of the physio-chemical, pharmacologic, toxicological and other aspects of chemical compounds. This paper describes a new technique to compute TIs of three types of indices. Our research examines the mathematical characteristics of molecular structure descriptors, particularly those that depend on graph degrees. We consider three types of dominating David-derived (DDD) networks which are obtained by honeycomb structure. In this work, we obtained some novel reverse-degree TIs for DDD networks.

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Publication Details

Journal
Journal of Micromechanics and Molecular Physics
Published
2024-12-01
DOI
https://doi.org/10.1142/s2424913024500188
Primary Topic
Inorganic and Organometallic Chemistry
Type
article
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article

Molecular modelling and structural characterisation of three types dominating David derived networks

Parvez Ali, Asma Jabeen, Shahzad Ahmad, Fatima Naseem
Journal of Micromechanics and Molecular Physics
Inorganic and Organometallic Chemistry
article

Molecular modelling and structural characterisation of three types dominating David derived networks

Parvez Ali, Asma Jabeen, Shahzad Ahmad, Fatima Naseem
article en

Abstract

Graphs give a mathematical model of molecules and are used extensively in chemical investigation. Strategically, selections of graph invariants (formerly called “topological indices” (TIs) or “molecular structure descriptors”) are used in the mathematical modelling of the physio-chemical, pharmacologic, toxicological and other aspects of chemical compounds. This paper describes a new technique to compute TIs of three types of indices. Our research examines the mathematical characteristics of molecular structure descriptors, particularly those that depend on graph degrees. We consider three types of dominating David-derived (DDD) networks which are obtained by honeycomb structure. In this work, we obtained some novel reverse-degree TIs for DDD networks.

Journal of Micromechanics and Molecular PhysicsVol. 09(04)
Qassim University (SA), University of Sialkot, University of Management and Technology (PK)
Openalex Percentile: Top 84%
Inorganic and Organometallic Chemistry
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Molecular modelling and structural characterisation of three types dominating David derived networks — Parvez Ali, Asma Jabeen, et al. · Journal of Micromechanics and Molecular Physics (2024) | TGRS Research Map | TGRS