Results 61 to 70 of about 150,131 (321)
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
Advanced Functional Materials, EarlyView.An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules
Biomolecules, 2018 Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their ...
Wei Gao +4 more
doaj +1 more source
A majorization method for localizing graph topological indices
, 2011 This paper presents a unified approach for localizing some relevant graph topological indices via majorization techniques. Through this method, old and new bounds are derived and numerical examples are provided, showing how former results in the ...
Alderson +34 more
core +1 more source
Stacking‐Engineered Magnonic Topology and Transport in Honeycomb Homobilayers
Advanced Functional Materials, EarlyView.ABSTRACT Topological magnons have emerged as a promising platform for dissipationless bosonic transport. However, a straightforward and effective strategy to engineer such topological states in real materials has yet to be fully realized. Here, a general scheme for controlling magnonic topological states via stacking engineering in van der Waals ...
Xiaoran Feng +6 more
wiley +1 more source
IEEE AccessSelf-similar molecular structures have been recently become popular due to topological indices, which are numerical parameters for network graphs. Topological indices are essential in chemical network analysis to describe the essential connectivity of ...
K. Yogalakshmi, D. Easwaramoorthy
doaj +1 more source
2D Magnetic and Topological Quantum Materials and Devices for Ultralow Power Spintronics
Advanced Functional Materials, EarlyView.2D magnets and topological quantum materials enable ultralow‐power spintronics by combining robust magnetic order with symmetry‐protected, Berry‐curvature‐driven transport. Fundamentals of 2D anisotropy and spin‐orbit‐coupling induced band inversion are linked to scalable growth and vdW stacking.
Brahmdutta Dixit +5 more
wiley +1 more source
A relation on trees and the topological indices based on subgraph [PDF]
, 2022 Rui Song, Qiongxiang Huang
openalex +1 more source
Advanced Functional Materials, EarlyView.Bioprosthetic aortic valves have revolutionized the treatment of aortic stenosis, but their durability is limited by structural valve deterioration (SVD). This review focuses on the pericardial tissue at the heart of these valves, examining how its mechanical properties and calcification drive fatigue and failure.
Gabriele Greco +7 more
wiley +1 more source
On Some Ve-Degree and Harmonic Molecular Topological Properties of Carborundum
ARO-The Scientific Journal of Koya University, 2020 Carborundum, also known as silicon carbide which containing carbon and silicon, is a semiconductor. Molecular topological properties of physical substances are important tools to investigate the underlying topology of these substances.
Murat Cancan +3 more
doaj +1 more source
On Zagreb coindices and Mostar index of $$TiO_2$$ T i O 2 nanotubes
Scientific Reports, 2023 Topological indices are valuable tools in predicting properties of chemical compounds. This study focuses on degree-based topological indices, which have shown strong correlations with various physico-chemical properties such as boiling points and strain
Muhammad Imran +4 more
doaj +1 more source