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Catalysis

Working Paper

The Ir–OOOO–Ir Transition State and the Mechanism of the Oxygen Evolution Reaction on IrO2(110)

Tobias Binninger, Marie-Liesse Doublet

Version 1 posted 18 January 2022

424

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Catalysis

Working Paper

Mechanism of Pd/Senphos-Catalyzed trans-Hydroboration of 1,3-Enynes: Experimental and Computational Evidence in Support of the Unusual Outer-Sphere Oxidative Addition Pathway

Yuanzhe Zhang, Ziyong Wang, Walid Lamine, Senmiao Xu, Bo Li, Anna Chrostowska, Karinne Miqueu, Shih-Yuan Liu

Version 1 posted 06 October 2022

397

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1

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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

142

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Theoretical and Computational Chemistry

Working Paper

Bidirectional Graphormer for Reactivity Understanding: neural network trained to reaction atom-to-atom mapping task

Ramil Nugmanov, Natalia Dyubankova, Andrey Gedich, Joerg Kurt Wegner

Version 1 posted 21 March 2022

858

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Theoretical and Computational Chemistry

Working Paper

A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries

Evan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, Bernardine L.D. Rinkel, Bryan D. McCloskey, Kristin A. Persson

Version 2 posted 20 December 2023

363

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Theoretical and Computational Chemistry

Working Paper

Intramolecular Cyclization and a Retro-Ene Reaction Enable the Rapid Fragmentation of a Vitamin B1-derived Breslow Intermediate

Neil Grenade, Graeme Howe

Version 1 posted 14 March 2024

227

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Organic Chemistry

Working Paper

Iodine-Catalyzed Carbonyl-Alkyne Metathesis Reactions

Thiemo Arndt, Martin Breugst

Version 1 posted 14 June 2024

516

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Organic Chemistry

Working Paper

Anomeric Triflates vs Dioxanium ions: Different Product-Forming Intermediates from 1-Thiophenyl-2-O-Benzyl-3-O-Benzoyl-4,6-O-Benzylidene-Mannose and Glucose

Wouter Remmerswaal, Hidde Elferink, Kas Houthuijs, Thomas Hansen, Floor ter Braak, Giel Berden, Stefan van der Vorm, Jonathan Martens, Jos Oomens, Gijsbert van der Marel, Thomas Boltje, Jeroen Codée

Version 1 posted 07 August 2023

352

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4

Citations

Physical Chemistry

Working Paper

Origin of potential and pH dependence of electrocatalytic rates

Si Liu, Luca D'Amario, Subhasis Shit, Stefan Mebs, Holger Dau

Version 1 posted 05 April 2024

409

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Theoretical and Computational Chemistry

Working Paper

Kinetic Modelling of Cobalt-Catalyzed Propene Hydroformylation: A Combined Ab Initio and Experimental Fitting Protocol

Luxuan Guo, Jeremy Harvey

Version 1 posted 09 November 2023

191

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Refine Search

94 results in Reaction Mechanism in Keywords: Reaction Mechanism

The Ir–OOOO–Ir Transition State and the Mechanism of the Oxygen Evolution Reaction on IrO2(110)

Mechanism of Pd/Senphos-Catalyzed trans-Hydroboration of 1,3-Enynes: Experimental and Computational Evidence in Support of the Unusual Outer-Sphere Oxidative Addition Pathway

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

Bidirectional Graphormer for Reactivity Understanding: neural network trained to reaction atom-to-atom mapping task

A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries

Intramolecular Cyclization and a Retro-Ene Reaction Enable the Rapid Fragmentation of a Vitamin B1-derived Breslow Intermediate

Iodine-Catalyzed Carbonyl-Alkyne Metathesis Reactions

Anomeric Triflates vs Dioxanium ions: Different Product-Forming Intermediates from 1-Thiophenyl-2-O-Benzyl-3-O-Benzoyl-4,6-O-Benzylidene-Mannose and Glucose

Origin of potential and pH dependence of electrocatalytic rates

Kinetic Modelling of Cobalt-Catalyzed Propene Hydroformylation: A Combined Ab Initio and Experimental Fitting Protocol

94 results in Keywords: Reaction Mechanism