Results 21 to 30 of about 148,749 (259)

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, Muhammad Imran, S. Sampathkumar, Fairouz Tchier, K. Pattabiraman, Ahmad Zubair Jan   +5 more
doaj   +1 more source

On Computation of Recently Defined Degree-Based Topological Indices of Some Families of Convex Polytopes via M-Polynomial

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, Farkhanda Afzal, Mohammad Reza Farahani, Samia Ali   +3 more
doaj   +1 more source

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
doaj   +1 more source

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 , Saylí M. Sigarreta , Hugo Cruz-Suárez   +2 more
doaj   +1 more source

On analysis of silicon dioxide based on topological indices and entropy measure via regression model. [PDF]

Sci Rep
Huang R, Hanif MF, Siddiqui MK, Hanif MF, Gegbe B.   +4 more
europepmc   +3 more sources

Mapping rules from nodal line semimetal to topological crystalline insulator in face centered cubic lattice

, 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
core   +1 more source

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, Wang, Guo-Xiang, Zhang, Wen-Xin   +2 more
core   +1 more source

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, Ahn, Ali Mostafazadeh, Alvarez-Gaumé, Alvarez-Gaumé, Baulieu, de Azćarraga, Dunne, Durand, Durand, Durand, Filippov, Fleury, Kerner, Mohammedi, Mostafazadeh, Mostafazadeh, Palais, Windey, Witten   +19 more
core   +2 more sources

Degree and Neighborhood Degree Sum-based Topological Characteristics of Zosurabalpin: a Novel Drug for Managing Antibiotic-resistant Infection

Scientific Annals of Computer Science
This article is concerned with the topological characterization of the antibiotic Zosurabalpin through the computation of degree and associated neighborhood degree sum-based topological indices.
Shibsankar Das, Virendra Kumar, Jayjit Barman, Modhuleena Mandal, Arti Kumari   +4 more
doaj   +1 more source

Determining topological order from a local ground state correlation function

, 2011
Topological insulators are physically distinguishable from normal insulators only near edges and defects, while in the bulk there is no clear signature to their topological order.
E. M. Lifshitz, J. von Neumann, Yaacov E. Kraus, Zohar Ringel   +3 more
core   +1 more source