Radical Stabilization Energies for Enzyme Engineering \\u2013 Tackling the Substrate Scope of the Radical Enzyme QueE

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Experimental assessment of the reaction mechanisms and profiles of radical enzymes can be severely c...
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作 者:
Christof Jaeger;Chri...
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Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

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We present an application of deep-learning convolutional neural network of atomic surface structures...
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作 者:
Seoin Back;Junwoong ...
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Copper-Catalyzed Benzylic C\\u2013H Coupling with Alcohols via Radical Relay

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Cross coupling reactions enable rapid convergent synthesis of diverse molecules and provide the foun...
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作 者:
Shannon Stahl;Huayou...
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An Electrochemical Investigation of Interfacial Electron Uptake by the Sulfur Oxidizing Bacterium Thioclava electrotropha ElOx9

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Extracellularelectron transfer (EET) allows microbes to acquire energy from solid stateelectron acce...
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作 者:
Amruta Karbelkar;Ann...
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Nickel-Catalyzed Inter- and Intramolecular Carbon-Sulfur Bond Metathesis by Reversible Arylation

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A nickel-catalyzed carbon-sulfur bond metathesis hasbeen developed to access high-value thioethers. ...
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作 者:
Bill Morandi;Tristan...
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Bimetallic Radical Redox-Relay Catalysis for the Isomerization of Epoxides to Allylic Alcohols

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Organic radicals are generally short-lived intermediates with exceptionally high reactivity. Strateg...
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作 者:
Song Lin;Ke-Yin Ye;T...
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Visible-Light-Mediated Amination of \\u03c0-Nucleophiles with N-Aminopyridinium Salts

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Under UV light irradiation N,N-(diphenylamino)pyridinium salts generate nitrenium ions. Herein, we r...
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作 者:
Dorota Gryko;Katarzy...
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Practical Considerations for Continuum Models Applied to Surface Electrochemistry

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Modelling the electrolyte at the electrochemical interface remains a major challengein ab initio sim...
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作 者:
Joseph Gauthier;Coli...
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Ti3C2-MXene/Bismuth Ferrite Nanohybrids for Efficient Degradation of Organic Dye and Colorless Pollutant

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Nanohybrids, made up of Bismuth ferrites/Carbon allotropes,are extensively used in photocatalytic ap...
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作 者:
syed rizwan;Ayesha T...
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Light-Driven Deracemization Enabled by Excited-State Electron Transfer

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A new strategy for catalytic deracemization is presented, wherein amine derivatives undergo spontane...
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作 者:
Robert Knowles;Nick ...
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