Results 1 to 10 of about 250,846 (115)
Protein-Protein Interactions Prediction Based on Graph Energy and Protein Sequence Information. [PDF]
Molecules, 2020 Identification of protein-protein interactions (PPIs) plays an essential role in the understanding of protein functions and cellular biological activities. However, the traditional experiment-based methods are time-consuming and laborious.
Xu D, Xu H, Zhang Y, Chen W, Gao R.
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Degree-based topological indices and their graph energies in the QSPR analysis and ranking of UV-filter compounds. [PDF]
Front ChemUltraviolet (UV) filters are essential ingredients in sunscreens and personal care products, and understanding their physicochemical properties is important for evaluating their performance and applicability.
Manuel M, Angamuthu P.
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A comparative study of topological entropy characterization and graph energy prediction for Marta variants of covalent organic frameworks. [PDF]
Front ChemCovalent organic frameworks are a novel class of porous polymers, notable for their crystalline structure, intricate frameworks, defined pore sizes, and capacity for structural design, synthetic control, and functional customization.
Raza Z +3 more
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Energy of strong reciprocal graphs [PDF]
Transactions on Combinatorics, 2023 The energy of a graph $G$, denoted by $\mathcal{E}(G)$, is defined as the sum of absolute values of all eigenvalues of $G$. A graph $G$ is called reciprocal if $ \frac{1}{\lambda} $ is an eigenvalue of $G$ whenever $\lambda$ is an eigenvalue of $G ...
Maryam Ghahremani +3 more
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Smoothness of Graph Energy in Chemical Graphs
Mathematics, 2023 The energy of a graph G as a chemical concept leading to HMO theory was introduced by Hückel in 1931 and developed into a mathematical interpretation many years later when Gutman in 1978 gave his famous definition of the graph energy as the sum of the ...
Katja Zemljič, Petra Žigert Pleteršek
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Spectral Applications of Vertex-Clique Incidence Matrices Associated with a Graph
Mathematics, 2023 Using the notions of clique partitions and edge clique covers of graphs, we consider the corresponding incidence structures. This connection furnishes lower bounds on the negative eigenvalues and their multiplicities associated with the adjacency matrix,
Shaun Fallat, Seyed Ahmad Mojallal
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Oboudi-Type Bounds for Graph Energy [PDF]
Mathematics Interdisciplinary Research, 2019 The graph energy is the sum of absolute values of the eigenvalues of the (0, 1)-adjacency matrix. Oboudi recently obtained lower bounds for graph energy, depending on the largest and smallest graph eigenvalue. In this paper, a few more Oboudi-type bounds
Ivan Gutman
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Total π-electron energy and Laplacian energy: How far the analogy goes? [PDF]
Journal of the Serbian Chemical Society, 2007 The Laplacian energy LE is a newly introduced molecular-graph-based analog of the total π-electron energy E. It is shown that LE and E have a similar structure-dependency only when molecules of different sizes are compared, when a good linear correlation
SLAVKO RADENKOVIC, IVAN GUTMAN
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Graph Theory: A Lost Component For Development in Nigeria
Journal of Nigerian Society of Physical Sciences, 2022 Graph theory is one of the neglected branches of mathematics in Nigeria but with the most applications in other fields of research. This article shows the paucity, importance, and necessity of graph theory in the development of Nigeria.
Olayiwola Babarinsa
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Estimating the total π-electron energy [PDF]
Journal of the Serbian Chemical Society, 2013 The paper gives a short survey of the most important lower and upper bounds for total π-electron energy, i.e., graph energy (E). In addition, a new lower and a new upper bound for E are deduced, valid for general molecular graphs.
Gutman Ivan, Das Kinkar Ch.
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