Results 11 to 20 of about 39 (39)

Predictive modeling of physical properties in silane compounds using topological descriptors: A computational approach

Main Group Metal Chemistry
Silane compounds are a class of chemical compounds composed of silicon (Si) and hydrogen (H), characterized by the general formula SiH4−xRx{{\rm{SiH}}}_{4-x}{R}_{x}, where RR represents various organic groups. The simplest member of this family is silane
Zhang Xiujun, Yousaf Shamaila, Shahzadi Komal, Ibrahim Sobhy M., Aslam Adnan   +4 more
doaj   +1 more source

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

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

On the Multiplicative Sum Zagreb Index of Molecular Trees With Given Order and Number of Branching Vertices

Journal of Mathematics, Volume 2025, Issue 1, 2025.
The multiplicative sum Zagreb index of a graph G is defined as the product of the sum of the degrees of adjacent vertices of G. A molecular tree is an acyclic connected graph with maximum degree at most 4. A vertex in a molecular tree with degree 3 or 4 is referred to as a branching vertex. In this paper, we consider the class of all molecular trees of
Sadia Noureen, Mubashar Abbas, Abdulaziz Mutlaq Alotaibi, Jaya Percival Mazorodze, Taher S. Hassan, Akbar Ali, Zafar Ullah   +6 more
wiley   +1 more source

Computation of Differential, Integral Operators and Quantitative Structure–Property Analysis of Boron α‐Icosahedral Nanosheet

Journal of Mathematics, Volume 2025, Issue 1, 2025.
In its crystalline state, the α‐icosahedral nanosheet of boron demonstrates superconductivity and thermal electronic properties. Mathematical research on a graph’s structure yields a graph descriptor, a numerical measure. Chemical graph theory employs connectivity descriptors to analyze molecular structures, providing crucial insights into many ...
Khalil Hadi Hakami, Abdul Rauf Khan, Saad Amin Bhatti, R. Sundareswaran   +3 more
wiley   +1 more source

Some new bounds on resolvent energy of a graph

Open Mathematics
Let GG be a simple graph of order nn with eigenvalues λ1≥λ2≥…≥λn.{\lambda }_{1}\ge {\lambda }_{2}\ge \ldots \ge {\lambda }_{n}. The resolvent energy of GG is a spectrum-based graph invariant defined as ER(G)=∑i=1n(n−λi)−1.{\rm{ER}}(G)={\sum }_{i=1}^{n ...
Altındağ İlkay, Bozkurt Altındağ Şerife Burcu   +1 more
doaj   +1 more source

Computing Some Topological Indices of Two Kinds of Dendrimer Graphs G[n] and H[n]

Journal of Mathematics, Volume 2024, Issue 1, 2024.
Dendrimer molecules are macromolecules which have many applications in nanosciences, drug delivery, biology, and different areas of sciences. Topological indices of chemical graph theory are numerical descriptor of a molecular structure. The dendrimer graph G[n] is obtained by attaching the new paths P9, joined each pendant vertex of G[n − 1] to ...
Hojat Kaviani, Lotfallah Pourfaraj, Huadong Su   +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

Brouwer's conjecture for the sum of the k largest Laplacian eigenvalues of some graphs

Open Mathematics
Let GG be a graph with n(G)n\left(G) vertices and e(G)e\left(G) edges, and Sk(G){S}_{k}\left(G) be the sum of the kk largest Laplacian eigenvalues of GG. Brouwer conjectured that Sk(G)≤e(G)+k+12{S}_{k}\left(G)\le e\left(G)+\left(\phantom{\rule[-0.75em]{}{
Wang Ke, Lin Zhen, Zhang Shumin, Ye Chengfu   +3 more
doaj   +1 more source