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Benchmarking Computational Alchemy for Carbide, Nitride, and Oxide Catalysts
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- Kohn-Sham density functional theory (DFT)-based searches for hypothetical catalysts are too computat...
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John Keith;Charles D...
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Flow Battery Electroanalysis 2: Influence of Surface Pretreatment on Fe(III/II) Redox Chemistry at Carbon Electrodes
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- Redox flow batteries are attractive for large-scale electrochemical energy storage, but sluggish ele...
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Tejal Sawant;James M...
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Revealing Quantum Mechanical Effects in Enzyme Catalysis with Large-Scale Electronic Structure Simulation
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- Enzymes have evolved to facilitate challenging reactions at ambient conditions with specificity seld...
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Heather Kulik;Zhongy...
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A Biocatalytic Platform for Synthesis of Chiral \\u03b1-Trifluoromethylated Organoborons
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- There are few biocatalytic transformations that produce fluorine-containing molecules prevalent in m...
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Xiongyi Huang;Marc G...
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Unifying the Alkaline Hydrogen Evolution/oxidation Reactions Kinetics by Identifying the Roles of Hydroxyl-Water-Cation Adducts
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- Despite the fundamental and practicalsignificance of the hydrogen evolution and oxidation reactions ...
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- 作 者：
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Ershuai Liu;Jingkun ...
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Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases
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- Protein tyrosine phosphatases (PTPs) are an important class of regulatory enzymes that exhibit aberr...
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Jerome Fox;Michael K...
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Cu Doped TiO2: Visible Light Assisted Photocatalytic Antimicrobial Activity and High Temperature Anatase Stability
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- Indoor surface contamination by microbes is a major public health concern. A damp environment is one...
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Michael Nolan;Sneham...
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Gold Catalyzed Hydroamination of Propargylic Alcohols: Controlling Divergent Reaction Pathways to Access 1,3-Aminoalcohols, 3-Hydroxyketones or 3-Aminoketones
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- A versatile approach to the valorization of propargylic alcohols is reported, enabling controlled ac...
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- 作 者：
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Tom Sheppard;Victor ...
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Photochemical and Electrochemical Reduction of Carbon Dioxide Catalyzed by a Polyoxometalate-Organic Photosensitizer Complex
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- A manganese substituted Anderson type polyoxometalate, [MnMo6O24]9-, tethered with an anthracene pho...
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Ronny Neumann;Chanda...
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Dual Ligand-Enabled Nondirected C\\u2013H Cyanation of Arenes
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- Aromatic nitriles are key structural units in organic chemistry and thus highly attractive targets f...
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- 作 者：
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Manuel van Gemmeren;...
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