Results 31 to 40 of about 148,252 (303)
Extremal values of VDB topological indices over F-benzenoids with equal number of edges
Mathematical Biosciences and Engineering, 2023 The utilization of molecular structure topological indices is currently a standing operating procedure in the structure-property relations research, especially in QSPR/QSAR study.
Fengwei Li , Qingfang Ye , Juan Rada
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Complexity, 2021 Topological indices are of incredible significance in the field of graph theory. Convex polytopes play a significant role both in various branches of mathematics and also in applied areas, most notably in linear programming.
Deeba Afzal +3 more
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A paradigmatic approach to the molecular descriptor computation for some antiviral drugs
Heliyon, 2023 In theoretical chemistry, topological indices are commonly employed to model the physico-chemical properties of chemical compounds. Mathematicians frequently use Zagreb indices to calculate a chemical compound's strain energy, melting point, boiling ...
Muhammad Usman Ghani +5 more
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On degree–based topological indices of random polyomino chains
Mathematical Biosciences and Engineering, 2022 In this article, we study the degree-based topological indices in a random polyomino chain. The key purpose of this manuscript is to obtain the asymptotic distribution, expected value and variance for the degree-based topological indices in a random ...
Saylé C. Sigarreta +2 more
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Several Topological Indices of Random Caterpillars [PDF]
Methodology and Computing in Applied Probability, 2021 In chemical graph theory, caterpillar trees have been an appealing model to represent the molecular structures of benzenoid hydrocarbon. Meanwhile, topological index has been thought of as a powerful tool for modeling quantitative structure-property relationship and quantitative structure-activity between molecules in chemical compounds.
Panpan Zhang, Xiaojing Wang
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Topological indices for nanoclusters [PDF]
Computational Materials Science, 2015 Abstract Nanoclusters create the possibility of designing novel properties and devices based on finite structures, with small dimensions. Clusters are of interest for catalytic, optical, biochemical, and structural characteristics. We examine clusters of icosahedral, cuboctahedral, and decahedral symmetry.
Kaatz, Forrest, Bultheel, Adhemar
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Statistical-Mechanical Theory of Topological Indices
SSRN Electronic Journal, 2022 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
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On a Z_3-Graded Generalization of the Witten Index [PDF]
, 2001 We construct a realization of the algebra of the Z_3-graded topological symmetry of type (1,1,1) in terms of a pair of operators D_1: H_1 -> H_2, and D_2: H_2 -> H_3 satisfying [D_1D_1^\dagger,D_2^\dagger D_2]=0.
Aghababaei Samani +19 more
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, 2020 We study what kind of topological crystalline insulator phase emerges from nodal line semimetal phases in the face-centered cubic system which is not indicated by topological indices when spin-orbit coupling (SOC) is introduced. We construct an effective
Tateishi, Ikuma
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Three-dimensional topological insulators in the octahedron-decorated cubic lattice
, 2011 We investigate a tight-binding model of the octahedron-decorated cubic lattice with spin-orbit coupling. We calculate the band structure of the lattice and evaluate the Z_2 topological indices.
Hou, Jing-Min +2 more
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