QSAR Analysis for the class of silicon carbide structures A. Divya, A. Manimaran International Journal of Modern Physics B, 2024 Graph theory has many applications in chemistry and is used to analyze molecular structures. Topological descriptors are numerical numbers that contain chemical information and provide structural features of a compound associated with a chemical approach. The purpose of the topological index is to study the physicochemical properties of molecular structures. This paper investigates the molecular graph of 2D silicon carbide structures. The scope of this paper is to determine the highest thermal stability property among silicon carbide structures using topological indices.
Extremal trees for the geometric-arithmetic index with the maximum degree A. Divya, A. Manimaran Discrete Mathematics Letters, 2022 For a graph G, the geometric-arithmetic index of G, denoted by GA(G), is defined as the sum of the quantities 2 √ dx × dy/(dx + dy) over all edges xy ∈ E(G). Here, dx indicates the vertex degree of x. For every tree T of order n ≥ 3, Vukičević and Furtula [J. Math. Chem. 46 (2009) 1369–1376] demonstrated that GA(T ) ≤ 4 √ 2 3 + (n − 3). This result is extended in the present paper. Particularly, for any tree T of order n ≥ 5 and maximum degree ∆, it is proved that
Topological-quantum correlation model for predicting HOMO-LUMO energy gaps in schizophrenia drug molecules A Divya Computational and Theoretical Chemistry, 115778 , 2026 2026
Topological analysis of metal–organic frameworks: A regression approach to enhance molecular modeling A Divya, A Karunyan Computational and Theoretical Chemistry 1248, 115156 , 2025 2025 Citations: 3
QSAR Analysis for the class of silicon carbide structures A Divya, A Manimaran International Journal of Modern Physics B 38 (30), 2440002 , 2024 2024 Citations: 1
Topological Indices on Fractal Patterns A Divya, A Manimaran, IM Alamsyah, A Erfanian Mathematical Modelling of Complex Patterns Through Fractals and Dynamical … , 2024 2024
Computation of certain topological indices for 2D nanotubes A Divya, A Manimaran Ricerche di Matematica 72 (1), 263-282 , 2023 2023 Citations: 4
Extremal trees for the geometricarithmetic index with the maximum degree A Divya, A Manimaran Disc. Math. Lett 9, 38-43 , 2022 2022 Citations: 2
Topological indices for the iterations of Sierpiński rhombus and Koch snowflake A Divya, A Manimaran The European Physical Journal Special Topics 230 (21), 3971-3980 , 2021 2021 Citations: 9
MOST CITED SCHOLAR PUBLICATIONS
Topological indices for the iterations of Sierpiński rhombus and Koch snowflake A Divya, A Manimaran The European Physical Journal Special Topics 230 (21), 3971-3980 , 2021 2021 Citations: 9
Computation of certain topological indices for 2D nanotubes A Divya, A Manimaran Ricerche di Matematica 72 (1), 263-282 , 2023 2023 Citations: 4
Topological analysis of metal–organic frameworks: A regression approach to enhance molecular modeling A Divya, A Karunyan Computational and Theoretical Chemistry 1248, 115156 , 2025 2025 Citations: 3
Extremal trees for the geometricarithmetic index with the maximum degree A Divya, A Manimaran Disc. Math. Lett 9, 38-43 , 2022 2022 Citations: 2
QSAR Analysis for the class of silicon carbide structures A Divya, A Manimaran International Journal of Modern Physics B 38 (30), 2440002 , 2024 2024 Citations: 1
Topological-quantum correlation model for predicting HOMO-LUMO energy gaps in schizophrenia drug molecules A Divya Computational and Theoretical Chemistry, 115778 , 2026 2026
Topological Indices on Fractal Patterns A Divya, A Manimaran, IM Alamsyah, A Erfanian Mathematical Modelling of Complex Patterns Through Fractals and Dynamical … , 2024 2024
