Results 71 to 80 of about 1,157,729 (290)
The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study
Advanced Science, EarlyView.Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley +1 more source
A note on K-path hamiltonian graphs [PDF]
, 1969 A graph G on p vertices is k-path Hamiltonian if every path of length not exceeding k, 1≤k≤p−2, is contained in a Hamiltonian cycle of G.
Kronk, Hudson V.
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Some notes on port-Hamiltonian systems on Banach spaces [PDF]
, 2021 We consider port-Hamiltonian systems from a functional analytic perspective. Dirac structures and Hamiltonians on Banach spaces are introduced, and an energy balance is proven.
Reis, Timo
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Advanced Science, EarlyView.First‐principles calculations reveal that monolayer In2O${\rm In}_2{\rm O}$ hosts type‐II Dirac fermions near the Fermi level, which split into Weyl points under spin‐orbit coupling. The material exhibits negative and giant magnetoresistance, a pronounced spin Hall effect, and phonon‐mediated superconductivity at 1.5 K, establishing it as a unique ...
Qing‐Bo Liu +6 more
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Energy harvest control systems Senegal study dataset
, 2021 Power and temperature data for a study of Energy Harvest Control systems used with solar direct drive vaccine refrigerators in ...
PATH
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Hamiltonian Paths in Some Classes of Grid Graphs
Journal of Applied Mathematics, 2012 The Hamiltonian path problem for general grid graphs is known to be NP-complete. In this paper, we give necessary and sufficient conditions for the existence of Hamiltonian paths in L-alphabet, C-alphabet, F-alphabet, and E-alphabet grid graphs.
Fatemeh Keshavarz-Kohjerdi +1 more
doaj +1 more source
Diverse Landscape of Tunable Magnetic, Topological, and Ferroelectric States in 2D Ti3Se3Te2
Advanced Science, EarlyView.Ti3Se3Te2 emerges as a multifunctional 2D van der Waals platform. The monolayer is a dynamically stable ferromagnetic quantum anomalous Hall insulator. In bilayers, two stacking configurations yield distinct phases: AA‐stacking hosts an altermagnetic quantum spin Hall insulator, while AA′‐stacking exhibits three‐state in‐plane ferroelectricity ...
Jiangtao Yu +5 more
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On hamiltonian chain saturated uniform hypergraphs [PDF]
Discrete Mathematics & Theoretical Computer Science, 2012 Graphs and ...
Aneta Dudek, Andrzej Zak
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Backtracking Algorithms for Constructing the Hamiltonian Decomposition of a 4-regular Multigraph
Моделирование и анализ информационных систем, 2021 We consider a Hamiltonian decomposition problem of partitioning a regular graph into edge-disjoint Hamiltonian cycles. It is known that verifying vertex non-adjacency in the 1-skeleton of the symmetric and asymmetric traveling salesperson polytopes is an
Alexander V. Korostil +1 more
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Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced Science, EarlyView.A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source