Results 21 to 30 of about 78 (66)

The Second Maximum Mostar Index of Unicyclic Graphs With Given Diameter

Journal of Mathematics, Volume 2026, Issue 1, 2026.
Topological invariants are key tools for studying the physicochemical and thermodynamic properties of chemical compounds. Recently, a new bond‐additive distance‐based graph invariant called the Mostar index has been developed. It measures the importance of individual edges and the graph as a whole. It is denoted and defined as MoG=∑xy∈EGnxxy−nyxy. This
Muhammad Amer Qureshi, Asad Ullah, Parvez Ali, Emad E. Mahmoud, Melaku Berhe Belay, Zafar Ullah   +5 more
wiley   +1 more source

An algorithmic approach to extending a theorem on extremal trees by Wang

, 2023
Let $\mathcal{T}_D$ be the set containing all the trees corresponding to a given degree sequence $D$ and let $R_\mathcal{F}$ be the graph invariant defined via \[ R_\mathcal{F} = \sum_{u \sim v} \mathcal{F}(\mathrm{deg}(u), \mathrm{deg}(v)) , \] where ...
Damnjanović, Ivan, Ranđelović, Žarko
core  

Harmonic–Arithmetic Index for the Generalized Mycielskian Graphs and Graphenes With Curvilinear Regression Models of Benzenoid Hydrocarbons

Computational and Mathematical Methods, Volume 2025, Issue 1, 2025.
The generalized Mycielskian graphs are known for their advantageous properties employed in interconnection networks in parallel computing to provide efficient and optimized network solutions. This paper focuses on investigating the bounds and computation of the harmonic–arithmetic index of the generalized Mycielskian graph of path graph, cycle graph ...
Pooja Danushri Namidass, Shobana Loganathan, Pramita Mishra   +2 more
wiley   +1 more source

Harmonic‐Arithmetic Index: Lower Bound for n‐Order Trees With Fixed Number of Pendant Vertices and Monogenic Semigroup for Graph Operations

International Journal of Mathematics and Mathematical Sciences, Volume 2025, Issue 1, 2025.
Graph theory combined with chemistry provides a strong framework for modeling and assessing chemical compounds. By representing molecules as graphs and applying topological indices, chemists can gain profound insights into the physical and chemical characteristics of compounds.
Kalpana R., Shobana L., Vladimir Mityushev   +2 more
wiley   +1 more source

The minimum matching energy of unicyclic graphs with fixed number of vertices of degree two

Open Mathematics
The number of jj-matchings in a graph HH is denote by m(H,j)m\left(H,j). If for two graphs H1{H}_{1} and H2{H}_{2}, m(H1,j)≥m(H2,j)m\left({H}_{1},j)\ge m\left({H}_{2},j) for all jj, then we write H1≽H2{H}_{1}\succcurlyeq {H}_{2}.
Bai Yongqiang, Ma Hongping, Zhang Xia
doaj   +1 more source

The Expected Values of Hosoya Index and Merrifield-Simmons Index of Random Hexagonal Cacti

, 2023
Hosoya index and Merrifield-Simmons index are two well-known topological descriptors that reflex some physical properties, boiling point or heat of formation for instance, of bezenoid hydrocarbon compounds.
Jiarasuksakun, Thiradet, Kaemawichanurat, Pawaton, Klamsakul, Natawat, Oo, Moe Moe, Wiroonsri, Nathakhun   +4 more
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An Effective Approach in Fuzzy Graph Molecular Modeling Using Randic Index and Its Applications in Medicinal Chemistry for Parkinson’s Drugs

Journal of Mathematics, Volume 2025, Issue 1, 2025.
In graph theory, the Randic index (R) is a topological graph invariant widely used as a physicochemical descriptor in the mathematical modeling of molecular structures. However, traditional molecular graphs fail to capture the heterogeneity of chemical bonds, since they treat all edges as uniform, ignoring variations in bond lengths and strengths.
Ying Wang, Ali Asghar Talebi, Mahsa Sadeghi, Aysha Khan, Jana Shafi, Pramita Mishra   +5 more
wiley   +1 more source

On the Harary Estrada index of graphs

Special Matrices
Let GG be a connected graph with nn vertices v1,…,vn{v}_{1},\ldots ,{v}_{n}. The Harary matrix of GG, denoted by H(G)H\left(G), is an n×nn\times n matrix with a zero main diagonal, where the (i,j)\left(i,j)-entry is 1d(vi,vj)\frac{1}{d\left({v}_{i},{v}_ ...
Oboudi Mohammad Reza
doaj   +1 more source

Implementation of multi-criteria decision making for the ranking of drugs used to treat bone-cancer [PDF]

The concept of "topological index" refers to a numerical value determined by the structure of a chemical network. It serves to determine the physicochemical and biological properties of diverse medications, offering a more precise depiction of the ...
Fozia Bashir Farooq
core   +1 more source

On General Sum‐Connectivity Index and Number of Segments of Fixed‐Order Chemical Trees

Journal of Mathematics, Volume 2025, Issue 1, 2025.
Nowadays, one of the most active areas in mathematical chemistry is the study of the mathematical characteristics associated with molecular descriptors. The primary objective of the current study is to find the largest value of χα of graphs in the class of all fixed‐order chemical trees with a particular number of segments for α > 1, where χα is the ...
Muzamil Hanif, Akhlaq A. Bhatti, Hicham Saber, Adel A. Attiya, Akbar Ali, Guo Zhong   +5 more
wiley   +1 more source