Results 31 to 40 of about 23,816 (337)

A paradigmatic approach to the molecular descriptor computation for some antiviral drugs

open access: yesHeliyon, 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
doaj   +1 more source

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

open access: yesComplexity, 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
doaj   +1 more source

Topological indices for the antiregular graphs

open access: yesLe Matematiche, 2021
Summary: We determine some classical distance-based and degree-based topological indices of the connected antiregular graphs (maximally irregular graphs). More precisely, we obtain explicitly the \(k\)-Wiener index, the hyper-Wiener index, the degree distance, the Gutman index, the first, second and third Zagreb index, the reduced first and second ...
openaire   +2 more sources

New Bounds for Some Topological Indices

open access: yesInternational Journal of Foundations of Computer Science, 2022
The biological, chemical, and structural properties of molecular graphs can be predicted by using topological indices. The lower and upper bounds of fundamental topological indices are well-studied. In this paper, by using comparison theorem for integrals, we obtain new bounds for some topological indices namely, Randić index, Sombor index, harmonic ...
Havva Kirgiz, Ayse Dilek Maden
openaire   +2 more sources

Symmetry indicators of band topology [PDF]

open access: yesJournal of Physics: Condensed Matter, 2020
Abstract Topological materials are quantum materials with nontrivial ground-state entanglement that are irremovable so long as certain rules, like invariance under symmetries and the existence of an energy gap, are respected. They showcase unconventional properties like robust anomalous surface states and quantized physical responses.
openaire   +4 more sources

Application Of Some Topological Indices In Nover Topologized Graphs

open access: yesNeutrosophic Sets and Systems, 2023
In this paper Nover top Z1 and Z2 index and Nover top H − index, Rd − index, GA − index, CON − index are investigated and some of the related theorems are discussed.These indices are also calculated for some specific types of Nover top graphs such as 2 − regular , K2 and K2,2 Nover Top ...
G. Muthumari, R. Narmada Devi
openaire   +3 more sources

Study of Neighborhood Degree-Based Topological Indices via Direct and NM-Polynomial of Starphene Graph

open access: yesJournal of Function Spaces, 2022
Our objective is to compute the neighborhood degree-based topological indices via NM-polynomial for starphene. In the neighborhood degree-based topological indices, we compute the third version of the Zagreb index; neighborhood second Zagreb index ...
Deeba Afzal   +5 more
doaj   +1 more source

-polynomial and topological indices of starphene graph

open access: yes, 2021
Chemical graph theory is a sub field of mathematical chemistry that is very beneficial in the progress of the computational analysis of the chemical compounds.
Faryal Chaudhry   +11 more
core   +1 more source

GTI-space : the space of generalized topological indices

open access: yes, 2008
A new extension of the generalized topological indices (GTI) approach is carried out torepresent 'simple' and 'composite' topological indices (TIs) in an unified way.
Matamala, A.R.   +5 more
core   +1 more source

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