Computational study of electron transport in [FeFe] hydrogenase enzymes

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[FeFe] hydrogenase enzymes can reversibly catalyze the conversion of protons into molecular hydrogen...
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作 者:
Rakesh Puthenkalathi...
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Studies of Catalyst-Controlled Regioselective Acetalization and Its Application to Single-Pot Synthesis of Differentially Protected Saccharides.

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This article describes the studies on regioselective acetal protection of monosaccharide-based diols...
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Pavel Nagorny;Jeongh...
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Hydroboration of terminal alkenes and trans-1,2-diboration of terminal alkynes catalyzed by a Mn(I) alkyl complex

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A Mn(I)-catalyzed hydroboration of terminal alkenes and the 1,2-diboration of terminal alkynes with ...
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Karl Kirchner;Stefan...
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Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations

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The COVID-19 pandemic, caused by the novel severe acute respiratory syndrome coronavirus-2, SARS-CoV...
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作 者:
Vicent Moliner;Adria...
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Studies on the Synthesis of Perfluoroaryl Sulfides and their Application in Desulfurative Nickel-Catalyzed Reductive Cross-Coupling

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The C\\u2212S activation and sulfur removal from native thiols is challenging and limits the applica...
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Shao-Chi Lee;Che-Min...
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Stereoconvergent and -divergent Synthesis of Tetrasubstituted Alkenes by Nickel-Catalyzed Cross-Couplings

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We report the development of a method to diastereoselectively access tetrasubstituted alkenes via ni...
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作 者:
Cian Kingston;Daniel...
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Supramolecular Catalysis of a Catalysis-Resistant Diels-Alder Reaction: Rapid Dimerization of Cyclopentadiene inside Cucurbit[7]uril

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In contrast to Diels-Alder reactions involving heteroatom-containing substrates, the endo dimerizati...
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作 者:
Khaleel Assaf;Werner...
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A Study in Red: The Overlooked Role of Azo-Moieties in Polymeric Carbon Nitride Photocatalysts with Strongly Extended Optical Absorption

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The unique optical and photoredox properties of heptazine-based polymeric carbon nitride (PCN) mater...
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作 者:
Radim Beranek;Darius...
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Mechanism of Ammonia Oxidation to Dinitrogen, Nitrite, and\\nNitrate on \\ud835\\udefd-Ni(OH)2 from First-Principles Simulations

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The electrocatalyzed ammonia oxidation reaction (AOR) is a potential pathway toward waste ammonia re...
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作 者:
Leanne D. Chen;Rache...
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Lewis acid-mediated Suzuki\\u2013Miyaura Cross-Coupling Reaction

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The palladium-catalysed Suzuki\\u2013Miyaura cross-coupling (SMC) reaction of organohalides and orga...
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作 者:
Takashi Niwa;Yuta Ue...
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