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Theoretical and Computational Chemistry

Working Paper

The intermolecular anthracene-transfer in a regiospecific antipodal C60 difunctionalization

Radu Talmazan, Klaus R. Liedl, Bernhard Kräutler, Maren Podewitz

Version 3 posted 06 May 2020

779

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Catalysis

Working Paper

Water-Involved Methane Selective Catalytic Oxidation by Dioxygen over Copper-Zeolites

Lanlan Sun, Yu Wang, Chuanming Wang, Zaiku Xie, Naijia Guan, Landong Li

Version 1 posted 27 July 2020

599

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Organometallic Chemistry

Working Paper

On the Mechanism of the Nickel-Catalyzed Boron Insertion into the C−O Bond of Benzofuran

Ana Mateo-Martínez, Hayate Saito, Hideki Yorimitsu, Carles Bo

Version 1 posted 21 June 2019

525

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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

786

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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

903

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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

578

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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

441

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Catalysis

Working Paper

Studies of Catalyst-Controlled Regioselective Acetalization and Its Application to Single-Pot Synthesis of Differentially Protected Saccharides.

Sibin Wang, Oleksii Zhelavskyi, Jeonghyo Lee, Alonso J. Arguelles, Yaroslav Khomutnyk, Enoch A. Mensah, Hao Guo, Rami Hourani, Paul M. Zimmerman, Pavel Nagorny

Version 2 posted 11 August 2021

873

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Analytical Chemistry

Working Paper

Electrochemical Reduction of [Ni(Mebpy)3]2+. Elucidation of the Redox Mechanism by Cyclic Voltammetry and Steady-State Voltammetry in Low Ionic Strength Solutions.

Koushik Barman, Martin A. Edwards, David P. Hickey, Christopher Sandford, Yinghua Qiu, rui gao, Shelley D. Minteer, Henry White

Version 1 posted 03 February 2020

756

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry

Dmitrij Rappoport, Alan Aspuru-Guzik

Version 1 posted 22 June 2018

1,607

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1

Citations

Refine Search

95 results in reaction mechanism in Keywords: reaction mechanism

The intermolecular anthracene-transfer in a regiospecific antipodal C60 difunctionalization

Water-Involved Methane Selective Catalytic Oxidation by Dioxygen over Copper-Zeolites

On the Mechanism of the Nickel-Catalyzed Boron Insertion into the C−O Bond of Benzofuran

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

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

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

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

Studies of Catalyst-Controlled Regioselective Acetalization and Its Application to Single-Pot Synthesis of Differentially Protected Saccharides.

Electrochemical Reduction of [Ni(Mebpy)3]2+. Elucidation of the Redox Mechanism by Cyclic Voltammetry and Steady-State Voltammetry in Low Ionic Strength Solutions.

Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry

95 results in Keywords: reaction mechanism