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Bridging the experiment-calculation divide: machine learning corrections to redox potential calculations in implicit and explicit solvent models
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- Prediction of redox potentials is essential for catalysis and energy storage. Although density funct...
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Eugen Hruska;Fang Li...
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High-entropy intermetallics serve an ultrastable single-atom Pt for propane dehydrogenation
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- Propane dehydrogenation (PDH) has been a promising propylene production process that can compensate ...
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Shinya Furukawa;Yuki...
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Unified Template Strategy for Editing Multiple Remote C\\u2013H Bonds
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- Through consecutive selective C\\u2013H functionalization at multiple sites, the direct molecular ed...
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Zhoulong Fan;Xiangya...
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Human Carboxylesterase 2 in Cocaine Metabolism
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- Increased hydrolysis of cocaine to non-toxic compounds is a promising way to prevent cocaine-induce...
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Pedro R. Figueiredo;...
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Vinylcyclopropane [3+2] Cycloaddition with Acetylenic Sulfones Based on Visible Light Photocatalysis
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- We describe the first intermolecular visible light [3+2] cycloaddition reaction being performed on a...
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Till Opatz;Adriana L...
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Experimental and DFT Studies on Cp*Co(III)-Catalyzed Selective C8-Olefination and Oxyarylation of Quinoline N-Oxides with Terminal Alkynes
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- Herein we report Cp*Co(III)-catalysed site-selective (C8)-H olefination and oxyarylation of quinolin...
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Upendra Sharma;Diksh...
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Microbial fuel cell power overshoot studied with microfluidics: from quantification to elimination
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- Power overshoot can hinder determination of maximum power densities in microbial fuel cells (MFCs). ...
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Jesse Greener;Mehran...
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Capturing the Most Active State of a Palladium(0) Cross-Coupling Catalyst
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- Zerovalent palladium complexes are ubiquitous active species in modern cross-coupling reactions that...
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Brad Carrow;Sii Hong...
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Selective Manganese-Catalyzed Semihydrogenation of Alkynes with in-situ Generated H2 from KBH4 and Methanol
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- The selective semihydrogenation of alkynes with the Mn(I) alkyl catalyst fac-[Mn(dippe)(CO)3(CH2CH2C...
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Karl Kirchner;Ronald...
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A New Organocatalytic Desymmetrization Reaction Enables the Enantioselective Total Synthesis of Madangamine E
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- The enantioselective total synthesis of madangamine E has been completed in 30 steps, enabled by a n...
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Benjamin D. A. Shenn...
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