Results 21 to 30 of about 835,518 (294)

M-Polynomials and Degree-Based Topological Indices of the Molecule Copper(I) Oxide

Journal of Chemistry, 2021
Topological indices are numerical parameters used to study the physical and chemical residences of compounds. Degree-based topological indices have been studied extensively and can be correlated with many properties of the understudy compounds.
Faryal Chaudhry, Iqra Shoukat, Deeba Afzal, Choonkil Park, Murat Cancan, Mohammad Reza Farahani   +5 more
doaj   +1 more source

Machine‐Learning Spectral Indicators of Topology [PDF]

Advanced Materials, 2022
AbstractTopological materials discovery has emerged as an important frontier in condensed matter physics. While theoretical classification frameworks have been used to identify thousands of candidate topological materials, experimental determination of materials’ topology often poses significant technical challenges. X‐ray absorption spectroscopy (XAS)
Nina Andrejevic, Jovana Andrejevic, B. Andrei Bernevig, Nicolas Regnault, Fei Han, Gilberto Fabbris, Thanh Nguyen, Nathan C. Drucker, Chris H. Rycroft, Mingda Li   +9 more
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QSPR Modeling of Fungicides Using Topological Descriptors

International Journal of Analytical Chemistry, 2023
A topological index is a real number that is obtained from a chemical graph’s structure. Determining the physiochemical and biological characteristics of a variety of medications is useful since it more accurately represents the theoretical ...
Saima Parveen, Fatima Saeed, Fozia Bashir Farooq, Nusrat Parveen, Nazeran Idrees, Sumiya Nasir, Rakotondrajao Fanja   +6 more
doaj   +1 more source

Eccentricity-Based Topological Invariants of Dominating David-Derived Networks

Journal of Chemistry, 2021
A topological index is a numerical descriptor of the molecular structure based on certain topological features of the corresponding molecular graph. Topological indices are scientific contemplations of a graph that outline its subatomic topology and are ...
Muhammad Imran, Mian Muhammad Zobair, Hani Shaker   +2 more
doaj   +1 more source

Aspects of Topological String Theory [PDF]

, 2008
Two aspects of the topological string and its applications are considered in this thesis. Firstly, non-perturbative contributions to the OSV conjecture relating four-dimensional extremal black holes and the closed topological string partition function ...
Cook, Paul Langabi Hogan
core   +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

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 Certain Topological Indices of Graphs

Czechoslovak Mathematical Journal, 2022
In this paper we give new bounds for a several vertex-based and edge-based topological indices of graphs: Albertson irregularity index, degree variance index, Mostar and the first Zagreb index. Moreover, we give a new upper bound for the energy of graphs through IRB-index.
Avdullahu, Arber, Filipovski, Slobodan
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Symmetry indicators of band topology [PDF]

Journal 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.
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New Bounds for Some Topological Indices

International 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