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Catalysis

Popular Integration Grids Can Result in Large Errors in DFT-Computed Free Energies

Andrea N. Bootsma, Steven Wheeler

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17 Citations

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Catalysis

Catalysis at the Origin of Life

Ruvan de Graaf, Victor Sojo, Reuben Hudson

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Catalysis

Industrial potential of the enzymatic synthesis of nucleoside analogs: Existing challenges and perspectives

Sarah Westarp, Felix Kaspar, Peter Neubauer, Anke Kurreck

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Catalysis

Adsorption, activation, and conversion of carbon dioxide on small copper-tin nanoclusters

Akshayini Muthuperiyanayagam, Ghulam Nabi Azeem, Aman -ur-Rehman, Devis Di Tommaso

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Catalysis

A formal (3+2) cycloaddition strategy toward 2-azanorbornanes

Anthony Allen, Annika Tharp, Corey Stephenson

109

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Nanoscience

Signal-Processing and Adaptive Prototissue Formation in Metabolic DNA Protocells

Avik Samanta, Maximilian Hörner, Wei Liu, Wilfried Weber, Andreas Walther

331

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Catalysis

Substituent effects in iron porphyrin catalysts for the hydrogen evolution reaction

Nils Heppe, Charlotte Gallenkamp, Stephen Paul, Nicole Segura-Salas, Niklas von Rhein, Bernhard Kaiser, Wolfram Jaegermann, Atefeh Jafari, Ilya Sergeev, Vera Krewald, Ulrike I. Kramm

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Catalysis

Charge-Controlled Pd-Catalysis Enables the Meta-C–H Activation/ Olefination of Arenes

Arup Mondal, Marina Díaz-Ruiz, Fritz Deufel, Feliu Maseras, Manuel van Gemmeren

133

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Catalysis

Expanding the Reactivity of Flavin Dependent Halogenases Toward Olefins via Enantioselective Intramolecular Haloetherification and Chemoenzymatic Oxidative Rearrangements

Yuhua Jiang, Dibyendu Mondal, Jared Lewis

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Catalysis

Direct Analysis of Biotransformations with Mass Spectrometry – DiBT-MS

Ruth Knox, Emily Kempa, Reynard Spiess, Christian Schnepel, Sabine Flitsch, Perdita Barran, Nicholas Turner

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Catalysis

First and Second Sphere Interactions Accelerate Non-Native N-Alkylation Catalysis by the Thermostable, Methanol-Tolerant B12-Dependent Enzyme MtaC

Amardeep Kumar, Xinhang Yang, Jianbin Li, Jared Lewis

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Theoretical and Computational Chemistry

Theoretical Investigation of Knowles Hydroamination Based on Systematic Exploration of Oxidation/Reduction Pathways for Photoredox-Catalyzed Radical Process

Yu Harabuchi, Hiroki Hayashi, Hideaki Takano, Tsuyoshi Mita, Satoshi Maeda

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Catalysis

Modeling electrochemical proton adsorption at constant potential with explicit charging

Henrik Kristoffersen

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Catalysis

Most Read

Popular Integration Grids Can Result in Large Errors in DFT-Computed Free Energies

Most Cited

Popular Integration Grids Can Result in Large Errors in DFT-Computed Free Energies

Latest Content

Catalysis at the Origin of Life

Industrial potential of the enzymatic synthesis of nucleoside analogs: Existing challenges and perspectives

Adsorption, activation, and conversion of carbon dioxide on small copper-tin nanoclusters

A formal (3+2) cycloaddition strategy toward 2-azanorbornanes

Signal-Processing and Adaptive Prototissue Formation in Metabolic DNA Protocells

Substituent effects in iron porphyrin catalysts for the hydrogen evolution reaction

Charge-Controlled Pd-Catalysis Enables the Meta-C–H Activation/ Olefination of Arenes

Expanding the Reactivity of Flavin Dependent Halogenases Toward Olefins via Enantioselective Intramolecular Haloetherification and Chemoenzymatic Oxidative Rearrangements

Direct Analysis of Biotransformations with Mass Spectrometry – DiBT-MS

First and Second Sphere Interactions Accelerate Non-Native N-Alkylation Catalysis by the Thermostable, Methanol-Tolerant B12-Dependent Enzyme MtaC

Theoretical Investigation of Knowles Hydroamination Based on Systematic Exploration of Oxidation/Reduction Pathways for Photoredox-Catalyzed Radical Process

Modeling electrochemical proton adsorption at constant potential with explicit charging