Iranian Journal of Mathematical Chemistry: Recent submissions
در حال نمایش موارد 1 - 20 از 257
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The Man Who Knew Symmetry: A Tribute to Ali Reza Ashrafi
(University of Kashan, 2024-12-01)Growing up in South Tehran, Ali Reza Ashrafi had a fascination with the application of mathematics in other sciences, particularly the symmetry of molecules, despite having no formal training in the subject.Ashrafi ...
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On Relations between Atom-Bond Sum-Connectivity Index and other Degree-Based Indices
(University of Kashan, 2024-12-01)The atom-bond sum-connectivity $(ABS)$ index is a novel vertex degree-based topological index defined recently as,$ABS(G)=\sum\limits_{i\simj}\sqrt{\frac{d_{i}+d_{j}-2}{d_{i}+d_{j}}}=\sum\limits_{i\sim j}\sqrt{1-\frac ...
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Metric Dimension for Line Graph of Some Chemical Structures
(University of Kashan, 2024-12-01)The metric dimension of a graph is a fundamental parameter that measures the minimum number of vertices to identify all other vertices in the graph uniquely. In the context of chemical structures, where graphs represent ...
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Extremal Chemical Trees for a Modified Version of Sombor Index
(University of Kashan, 2024-12-01)Let $G$ be a molecular graph, where $d_u$ representes the degree of vertex $u$, and $uv$ denotes an edge connecting vertices $u$ and $v$. A few years ago, a new vertex-degree-based graph invariant (topological index) ...
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Pell Wavelet Optimization Method for Solving Time-Fractional Convection Diffusion Equations Arising in Science and Medicine
(University of Kashan, 2024-12-01)Here, we present a composition method for solving time-fractional convection-diffusion equations (TF-CDEs). The main aims of the technique are to use Pell wavelets and convert the considered problem into fractional ...
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On the Reduced and Increased Sombor Indices of Trees with Given Order and Maximum Degree
(University of Kashan, 2024-12-01)The Sombor index is a newly introduced vertex-degree-based graph invariant with the ability to predict the enthalpyof vaporization and entropy of octane isomers. Recently, two new variants of the Sombor index namely ...
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On the Multiplicative Reformulated First Zagreb Index of n-Vertex Trees with Respect to Matching Number
(University of Kashan, 2024-09-01)The multiplicative first Zagreb index is the product of the square of the degree of vertices in a graph $\mathbb{G}$. The multiplicative reformulated first Zagreb index is defined as $\prod_{1,e}(\mathbb{G})= ...
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Compared Two Models for Shifted the Gap Energy in Acenes; Quantum Perturbation Theory and Topological Indices
(University of Kashan, 2024-09-01)Acenes, which can be represented by the chemical formula $C_{4n+2} H_{2n+4}$, belong to a group of organic molecules that have attracted significant attention in the fields of electronic molecules and nanoscale ...
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Steiner k-Eccentric Connectivity Index: a Novel Steiner Distance-Based Index
(University of Kashan, 2024-09-01)Let G be a connected graph and S be a k element subset of the vertex set V(G). The Steiner-k distance d_{G}(S) between vertices of S is the minimum size among all connected subgraphs whose vertex set contains S. In ...
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Neighborhood M-Polynomial of Graph Operations: Exploring Nanostructure Applications and Correcting Cycle-Related Graph Results
(University of Kashan, 2024-09-01)Mathematical chemistry is a field of mathematics where chemical compounds are studied by associating a graph to it. A topological index serves as a mathematical invariant that elucidates the underlying topological ...
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The Matrix Transformation Technique for the Time- Space Fractional Linear Schrödinger Equation
(University of Kashan, 2024-09-01)This paper deals with a time-space fractional Schrödinger equation with homogeneous Dirichlet boundary conditions. A common strategy for discretizing time-fractional operators is finite difference schemes. In these ...
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Construction of Zero-Divisor Graph of a Hyperlattice with Respect to Hyperideals
(University of Kashan, 2024-09-01)In this paper, we define the zero-divisor graph of a meet-hyperlattice with respect to a hyperideal. We prove the diameter of a $P-$hyperlattice and Nakano hyperlattice are at most 3 and 4 respectively. We obtain ...
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On Some Extremal Results and Bounds of Additively Weighted Edge Mostar Index
(University of Kashan, 2025-03-01)The additively weighted edge Mostar index is a topological index(TI) defined as an extension of the edge Mostar index. In this paper, we determine the extrema of the additively weighted edge Mostar index for trees. ...
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The Number of 1-Nearly Independent Edge Subsets
(University of Kashan, 2025-03-01)Let $G=(V(G),E(G))$ be a graph with the set of vertices $V(G)$ and the set of edges $E(G)$. A subset $S$ of $E(G)$ is called a $k$-nearly independent edge subset if there are exactly $k$ pairs of elements of $S$ that ...
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Pebbling Number of Polymers
(University of Kashan, 2025-03-01)Let $G=(V,E)$ be a simple graph. A function $f:V\rightarrow \mathbb{N}\cup \{0\}$ is called a configuration of pebbles on the vertices of $G$ and the quantity $\vert f\vert=\sum_{u\in V}f(u)$ is called the weight of ...
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Lower and Upper Bounds between Energy, Laplacian Energy, and Sombor Index of Some Graphs
(University of Kashan, 2025-03-01)Ivan Gutman has introduced two essential indices; the energy of a graph G, and the Sombor index of that. $\varepsilon(G)$, which stands for the first index, is the sum of the absolute values of all eigenvalues ...
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On the Numerical Solution of Widely Used 2D Stochastic Partial Differential Equation in Representing Reaction-Diffusion Processes
(University of Kashan, 2025-03-01)In this paper, a combined methodology based on the method of lines (MOL) and spline is implemented to simulate the solution of a two-dimensional (2D) stochastic fractional telegraph equation with Caputo fractional derivatives ...
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A Study of Vertex-Degree Function Indices via Branching Operations on Trees
(University of Kashan, 2025-03-01)Let $G$ be a graph with vertex set $V\left(G \right)$. The vertex-degree function index $H_{f}\left(G \right) $ is defined on $G$ as: $H_{f}\left(G \right) =\sum_{u\in V\left(G \right)}f\left(d_{u} \right),$where ...
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Maximum Modified Sombor Index of Unicyclic Graphs with Given Girth
(University of Kashan, 2024-06-01)For any graph $G$, the modified Sombor index is defined as the reciprocal of the well-known Sombor Index. The girth of $G$, by short $g(G)$, is the length of the smallest cycle in $G$. A graph with exactly one ...
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Computation of Topological Indices of Binary and Ternary Trees using Algorithmic Approach
(University of Kashan, 2024-06-01)In this paper, algorithms are used to compute distance-based topological indices for the Complete Binary Tree (CBT) and the Complete Ternary Tree (CTT). Computation of distance-based topological indices is complex for ...
