Results 101 to 110 of about 78,303 (310)
Three infinite families of Hamilton-connected convex polytopes and their detour index
AIMS MathematicsA path in a graph encompassing its whole vertex set is called Hamiltonian. Such a path with sharing the same initial and terminal vertices is called a Hamiltonian cycle. A graph comprising a Hamiltonian path (resp.
Sakander Hayat +3 more
doaj +1 more source
Advanced Science, EarlyView.Al/Se co‐substitution in Li6PS5Cl achieves enhanced dry‐air stability and improves Li+ conductivity, retaining 85% of its high Li+ conductivity (4.91 mS cm−1 at 30 °C) after dry‐air exposure (dew point −40 °C for 5 h). The stability enhancement is experimentally validated and underpinned by theoretical analyses indicating suppressed rotation of P[S2SeO]
Juhyoun Park +12 more
wiley +1 more source
Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling
Advanced Science, EarlyView.A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang +7 more
wiley +1 more source
Arc-Disjoint Hamiltonian Cycles in Round Decomposable Locally Semicomplete Digraphs
Discussiones Mathematicae Graph Theory, 2018 Let D = (V,A) be a digraph; if there is at least one arc between every pair of distinct vertices of D, then D is a semicomplete digraph. A digraph D is locally semicomplete if for every vertex x, the out-neighbours of x induce a semicomplete digraph and ...
Li Ruijuan, Han Tingting
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Advanced Science, EarlyView.A kind of new CNDs‐based materials with reversible mechano‐responsive phosphorescence emission through incorporating CNDs into the supramolecular rigid network is leveraged for aerospace applications, where the CND‐embedded film demonstrated memorable visualization of stress distribution in wings under sudden mechanical events (e.g., micro‐impacts ...
Yachuan Liang +7 more
wiley +1 more source
Lower Bound on the Number of Hamiltonian Cycles of Generalized Petersen Graphs
Discussiones Mathematicae Graph Theory, 2020 In this paper, we investigate the number of Hamiltonian cycles of a generalized Petersen graph P (N, k) and prove that Ψ(P(N,3))⩾N⋅αN,\Psi ( {P ( {N,3} )} ) \ge N \cdot {\alpha _N}, where Ψ(P(N, 3)) is the number of Hamiltonian cycles of P(N, 3) and αN ...
Lu Weihua, Yang Chao, Ren Han
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Advanced Science, EarlyView.This study constructs a dual‐scale Ag‐based catalyst on CeO2 nanorods via a facet‐guided strategy. This catalyst can induce a cascaded orbital hybridization effect, which synergistically optimizes oxygen vacancy stability, CO desorption kinetics, and charge transfer efficiency.
Youjia Wang +6 more
wiley +1 more source
Advanced Electronic Materials, EarlyView.The use of air stable but thermally labile molecules provides an efficient strategy for the N‐type doping of organic semiconductors with relatively low electron affinities. Design criteria for efficient dopants should also take into account diffusion and phase segregation that cannot be decoupled from thermally activated doping.
Francesca Pallini +15 more
wiley +1 more source
AIMNet2‐NSE: A Transferable Reactive Neural Network Potential for Open‐Shell Chemistry
Angewandte Chemie, EarlyView.AIMNet2‐NSE enables accurate modeling of open‐shell radical chemistry through neural spin‐charge equilibration (NSE). This machine learning interatomic potential predicts radical reaction energies, barriers, and spin‐crossing events with near‐DFT accuracy while offering five orders of magnitude computational speedup, making high‐throughput exploration ...
Bhupalee Kalita +7 more
wiley +2 more sources