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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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Theoretical and Computational Chemistry

Working Paper

Molecular Mechanism of Light-Induced Acceleration of the Adenosine Triphosphate Conversion to the Cyclic Adenosine Monophosphate Catalyzed by the Photoactivated Adenylyl Cyclase bPAC

Alexander Nemukhin, Maria Khrenova, Anna M. Kulakova

Version 1 posted 28 October 2020

331

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Theoretical and Computational Chemistry

Working Paper

Computational Study of Tandem C-C Coupling and C-H Activation Reaction of a Flexible Substrate

Davuluri Yogeswara Rao, Anakuthil Anoop

Version 1 posted 06 May 2019

428

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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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Catalysis

Working Paper

On the Mechanism of Visible-Light Accelerated Methane Dry Reforming Reaction over Ni/CeO2-X Catalysts

Kristijan Lorber, Janez Zavašnik, Jordi Sancho-Parramon, Matej Bubaš, Matjaž Mazaj, Petar Djinovic

Version 1 posted 21 April 2021

779

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Materials Chemistry

Working Paper

The reductive decomposition kinetics and thermodynamics that govern the design of fluorinated alkoxyaluminate/borate salts for Mg-ion and Ca-ion batteries

Xiaowei Xie, Noel Leon, David Small, Evan Clark Spotte-Smith, Chen Liao, Kristin Persson

Version 1 posted 30 August 2022

213

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Analytical Chemistry

Working Paper

Operando acoustic analysis: a valuable method for investigating reaction mechanisms in mechanochemistry

César Leroy, Sébastien Mittelette, Gautier Félix, Nicolas Fabregue, Jessica Špačková, Philippe Gaveau, Thomas-Xavier Métro, Danielle Laurencin

Version 1 posted 11 March 2022

243

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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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Biological and Medicinal Chemistry

Working Paper

Spectroscopic investigations under whole cell conditions provide new insight into the metal hydride chemistry of [FeFe]-hydrogenase

Lívia S. Mészáros, Pierre Ceccaldi, Marco Lorenzi, Holly J. Redman, Emanuel Pfitzner, Joachim Heberle, Moritz Senger, Sven T. Stripp, Gustav Berggren

Version 2 posted 29 January 2020

859

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Biological and Medicinal Chemistry

Working Paper

A Cysteine Selenosulfide Redox Switch for Protein Chemical Synthesis

Vincent Diemer, Nathalie Ollivier, Bérénice Leclercq, Hervé Drobecq, Jérôme Vicogne, Vangelis Agouridas, Oleg Melnyk

Version 2 posted 26 February 2020

739

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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

Molecular Mechanism of Light-Induced Acceleration of the Adenosine Triphosphate Conversion to the Cyclic Adenosine Monophosphate Catalyzed by the Photoactivated Adenylyl Cyclase bPAC

Computational Study of Tandem C-C Coupling and C-H Activation Reaction of a Flexible Substrate

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

On the Mechanism of Visible-Light Accelerated Methane Dry Reforming Reaction over Ni/CeO2-X Catalysts

The reductive decomposition kinetics and thermodynamics that govern the design of fluorinated alkoxyaluminate/borate salts for Mg-ion and Ca-ion batteries

Operando acoustic analysis: a valuable method for investigating reaction mechanisms in mechanochemistry

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

Spectroscopic investigations under whole cell conditions provide new insight into the metal hydride chemistry of [FeFe]-hydrogenase

A Cysteine Selenosulfide Redox Switch for Protein Chemical Synthesis

78 results in Keywords: Reaction mechanism