Aminoxyl-Catalyzed Electrochemical Diazidation of Alkenes
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We report the hypothesis-driven development of a new aminoxyl radical catalyst, CHAMPO, for the elec...
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Song Lin;Juno C. Siu...
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Nickel Supported on Mesoporous Zirconium Oxide by Atomic Layer Deposition: Initial Fixed-Bed Reactor Study
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Atomic layer deposition (ALD) is gaining attention as a catalyst preparation method able to produce ...
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Riikka Puurunen;Paul...
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Dienamine-Induced Divinylcyclopropane-Cycloheptadiene Rearrangements
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Sigmatropic rearrangements constitute an important groupof pericyclic reactions. In contrast to cycl...
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Mathias Christmann;C...
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Zeolites Fit For A Crown: Probing Host-Guest Interactions with Thermogravimetric Methods
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Througha combination of thermogravimetry, mass spectrometry and differential thermalanalysis, we dem...
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Asel Sartbaeva;Paul ...
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Machine Learning Accelerated Genetic Algorithms for Computational Materials Search
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A machine learning model is used as a surrogate fitness evaluator in a genetic algorithm (GA) optimi...
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作 者：
Steen Lysgaard;Paul ...
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Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 evolution on Pt
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Theoretical estimation of the activation energy of electrochemical reactions is of critical importan...
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Maxime Van den Bossc...
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Computational High-Throughput Screening of Polymeric Photocatalysts: Exploring the Effect of Composition, Sequence Isomerism and Conformational Degrees of Freedom
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We discuss a low-cost computational workflow forthe high-throughput screening of polymeric photocata...
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Martijn Zwijnenburg;...
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Effects of Crosslinking Methods on Network Structure and Enzymatic Degradation of Methacrylate-Functionalized Chitosan Hydrogel
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Polysaccharides, such as hyaluronic acid, alginate, or chitosan, can be modified by addition of reac...
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Jungwook Kim;Juhong ...
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Structural Single Fe(II) Sites in MIL-Type Metal Or-Ganic Frameworks for Oxidation of Methane to Methanol and Ethane to Ethanol
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Single non-heme Fe(II) ions present as structural metalsin several metal organic frameworks (e.g. MI...
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Jenny G. Vitillo;Adi...
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Impact of Rutile Fraction on TiO2 Visible-Light Absorption and Visible-Light-Induced Photocatalytic Activity
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Titanium dioxide is by far the most utilised semiconductor material for photocatalytic applications....
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作 者：
David Maria Tobaldi;...
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