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Regulating atomic Fe-Rh site distance for efficient oxygen reduction reaction
Exploring the atomic interaction mechanisms of dense single-atom catalysts (SACs) is of great significance for their application in oxygen reduction...
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Effect of long reaction distance on gas composition from organic-rich shale pyrolysis under high-temperature steam environment
When high-temperature steam is used as a medium to pyrolyze organic-rich shale, water steam not only acts as heat transfer but also participates in...
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Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map
This thesis proposes useful tools, on-the-fly trajectory map** method and Reaction Space Projector (ReSPer), to analyze chemical reaction...
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Numerical analysis to determine the optimum distance of reaction piles in a static pile load test
When testing piles, the distance between the main pile and the anchor piles has a large effect on the test cost. Lower distance between piles results...
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Reaction Kinetics
The concentration of a reactant can act on the reaction rate in different ways. This is quantified by the reaction order. Depending on the reaction...
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Sight Distance
The German Road Traffic RegulationsRoad traffic regulations (StVO) (BMVBS Straßenverkehrsordnung. Dortmund: Verkehrsblatt-Verlag, 2013) stipulate...
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Reaction Mechanism
In reversible reactions, the rates of the reverse and forward reaction are equal at equilibrium, the law of mass action can thus be derived...
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Reaction-Diffusion Equations
In this chapter, we introduce the Turing bifurcations, a type of bifurcation arising in reaction-diffusion systems. They lead to nontrivial spatial...
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Projection of Dynamical Reaction Route onto Reduced-Dimensionality Reaction Space
On-the-fly molecular dynamics provides fruitful information on dynamical reaction mechanisms but requires chemical intuition to extract driving...
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How the microenvironment dominated by the distance effect to regulate the FeN4 site ORR activity and selectivity?
The distance effect of the doped heteroatoms away from the catalytic centers has rarely been reported. In this work, we conducted density functional...
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Effects of nail softness and stiffness with distance running shoes on ground reaction forces and vertical loading rates in male elite long-distance runners with pronated feet
BackgroundTo improve propulsion during running, athletes often wear spike shoes designed for training and/or competition. Running with spike shoes...
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Distance effect of single atoms on stability of cobalt oxide catalysts for acidic oxygen evolution
Develo** efficient and economical electrocatalysts for acidic oxygen evolution reaction (OER) is essential for proton exchange membrane water...
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Microstructural Consequences of Alkali-Carbonate Reaction
During alkali-carbonate reaction (ACR), dolomite present in the aggregate particles reacts with the hydroxide ions present in the concrete pore...
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Oxygen Reduction Reaction; Fuel Cells
The principles of the oxygen reduction reaction (ORR), including electrocatalysts and kinetics, are covered in this chapter. Based on the literature,...
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Visualization of Unique Reaction Route Map by Dimensionality Reduction Method
The reaction route networks generated by automated reaction path search methods have provided a chemical insight into reaction mechanisms and...
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Reaction–Diffusion Systems
Many models and simulation algorithms of intracellular kinetics are usually based on the premise that diffusion is so fast that the concentrations of...
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Hyper-distance oracles in hypergraphs
We study point-to-point distance estimation in hypergraphs, where the query is parameterized by a positive integer s , which defines the required...
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A Highly Ordered Nitroxide Side Chain for Distance Map** and Monitoring Slow Structural Fluctuations in Proteins
Site-directed spin labeling electron paramagnetic resonance (SDSL-EPR) is an established tool for exploring protein structure and dynamics. Although...
