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Catalysis

Working Paper

Computational Insights into the Mechanism of the Selective Catalytic Reduction of NOx: Fe- Versus Cu-Doped Zeolite Catalysts

Julian Rudolph, Christoph R. Jacob

Version 2 posted 04 March 2019

1,142

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Biological and Medicinal Chemistry

Working Paper

Modeling the Interplay of Poor Inhibitor Binding and Efficient Formation of a Covalent Adduct upon the Interaction of ARS Compounds with KRASᴳ¹²ᶜ

Maria Khrenova, Anna M. Kulakova, Alexander Nemukhin

Version 1 posted 04 September 2019

766

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Biological and Medicinal Chemistry

Working Paper

Mechanisms of ATP to cAMP Conversion Catalyzed by the Mammalian Adenylyl Cyclase: A Role of Magnesium Coordination Shells and Proton Wires

Bella Grigorenko, Igor Polyakov, Alexander Nemukhin

Version 1 posted 12 August 2019

645

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Organic Chemistry

Working Paper

Solvation Effects Drive the Selectivity in Diels-Alder Reaction Under Hyperbaric Conditions

Daniele Loco, Riccardo Spezia, François Cartier, Isabelle Chataigner, Jean-Philip Piquemal

Version 1 posted 10 March 2020

546

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Catalysis

Working Paper

Zero-valent Palladium Single-Atoms Catalysts Confined in Black Phosphorus for Efficient Semi-hydrogenation

cheng chen, Ou Wei, Yam Kahmeng, Xi Shibo, Zhao Xiaoxu, Chen Si, Jing Li, Lvy Pin, Ma Lu, Xu Haomin, Yu Wei, Fang Hanyan, Yao Chuanhao, Hai Xiao, Ming Joo Koh, Lin Ming, Stephen J. Pennycook, Lu Junling, Du Yonghua, Su Chenliang, Zhang Chun, Jiong Lu

Version 1 posted 11 December 2020

578

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Organometallic Chemistry

Working Paper

Mechanistic Insights into Formic Acid Dehydrogenation and Carbon dioxide Amidation Using Electrophilic Ru(II)-Complexes

Rahul Kumar

Version 2 posted 01 September 2021

477

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Materials Chemistry

Working Paper

Operando spectroelectrochemistry of redox state kinetics in water-oxidation IrOx electrocatalysts

Carlota Bozal-Ginesta, Reshma R. Rao, Camilo A. Mesa, Xinyi Liu, Sam A.J. Hillman, Ifan E.L. Stephens, James R. Durrant

Version 1 posted 14 July 2021

664

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Energy

Working Paper

Towards combined photobiological-photochemical formation of kerosene-type biofuels: Which small 1,3-diene photodimerizes most efficiently?

Sindhujaa Vajravel, Leandro Cid Gomes, Anup Rana, Henrik Ottosson

Version 1 posted 08 February 2023

120

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Biological and Medicinal Chemistry

Working Paper

Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates

Bradley Doak, Rebecca Whitehouse, Kieran Rimmer, Martin Williams, Begona Heras, Sofia Caria, Olga Ilyichova, Mansha Vazirani, Biswaranjan Mohanty, Jason Harper, Martin Scanlon, Jamie Simpson

Version 1 posted 17 February 2022

285

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1

Citations

Organometallic Chemistry

Working Paper

The Stereochemistry of the Reactions between Palladacycle Complexes and Primary Alkyl Iodides

Xinyu Xu, Lei Jiao

Version 1 posted 19 January 2023

266

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Refine Search

78 results in Reaction Mechanism in Keywords: Reaction Mechanism

Computational Insights into the Mechanism of the Selective Catalytic Reduction of NOx: Fe- Versus Cu-Doped Zeolite Catalysts

Modeling the Interplay of Poor Inhibitor Binding and Efficient Formation of a Covalent Adduct upon the Interaction of ARS Compounds with KRASᴳ¹²ᶜ

Mechanisms of ATP to cAMP Conversion Catalyzed by the Mammalian Adenylyl Cyclase: A Role of Magnesium Coordination Shells and Proton Wires

Solvation Effects Drive the Selectivity in Diels-Alder Reaction Under Hyperbaric Conditions

Zero-valent Palladium Single-Atoms Catalysts Confined in Black Phosphorus for Efficient Semi-hydrogenation

Mechanistic Insights into Formic Acid Dehydrogenation and Carbon dioxide Amidation Using Electrophilic Ru(II)-Complexes

Operando spectroelectrochemistry of redox state kinetics in water-oxidation IrOx electrocatalysts

Towards combined photobiological-photochemical formation of kerosene-type biofuels: Which small 1,3-diene photodimerizes most efficiently?

Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates

The Stereochemistry of the Reactions between Palladacycle Complexes and Primary Alkyl Iodides

78 results in Keywords: Reaction Mechanism