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Catalysis

Working Paper

Driving electrochemical organic hydrogenations on metal catalysts by tailoring hydrogen surface coverages

Tengfei Li, Anna Ciotti, Motiar Rahaman, Celine Wing See Yeung, Max García-Melchor, Erwin Reisner

Version 1 posted 09 November 2023

424

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3

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Catalysis

Working Paper

Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

Michael Craig, Gabriel Coulter, eoin dolan, Joaquín Soriano-López, Wolfgang Schmitt, Max Garcia-Melchor

Version 2 posted 29 April 2019

955

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Theoretical and Computational Chemistry

Working Paper

High-Throughput Screening and Rational Design to Drive Discovery in Molecular Water Oxidation Catalysis

Michael Craig, Max Garcia-Melchor

Version 1 posted 22 February 2021

374

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Physical Chemistry

Working Paper

FEFOS: A method to derive oxide formation energies from oxidation states

Michael Craig, Felix Kleuker, Michal Bajdich, Max Garcia-Melchor

Version 1 posted 11 January 2023

201

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Catalysis

Working Paper

Sustainable Electrosynthesis of Cyclohexanone Oxime through Nitrate Reduction on a Zn-Cu Alloy Catalyst

Jonathan Sharp, Anna Ciotti, Hayley Andrews, Shaktiswaran Udayasurian, Max García-Melchor, Tengfei Li

Version 1 posted 20 December 2023

251

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1

Citations

Catalysis

Working Paper

Efficient mapping of CO adsorption on Cu_(1-x)M_x bimetallic alloys via Machine Learning

Mattia Salomone, Michele Re Fiorentin, Francesca Risplendi, Federico Raffone, Timo Sommer, Max García-Melchor, Giancarlo Cicero

Version 1 posted 11 December 2023

184

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2

Citations

Organic Chemistry

Working Paper

Anti-Friedel-Crafts alkylation via electron donor-acceptor photoinitiated autocatalysis

David M. Vahey, Manting Mu, Shannon A. Bonke, Timo Sommer, Prithvi Vangal, Carl Mallia, Max García-Melchor, Erwin Reisner

Version 1 posted 12 November 2024

335

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Theoretical and Computational Chemistry

Working Paper

DART: Unlocking Coordination Chemistry Beyond the Cambridge Structural Database

Cian Clarke, Timo Sommer, Felix Kleuker, Max García-Melchor

Version 1 posted 24 October 2024

159

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8 results in Max Garcia-Melchor in Authors: Max Garcia-Melchor

Driving electrochemical organic hydrogenations on metal catalysts by tailoring hydrogen surface coverages

Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

High-Throughput Screening and Rational Design to Drive Discovery in Molecular Water Oxidation Catalysis

FEFOS: A method to derive oxide formation energies from oxidation states

Sustainable Electrosynthesis of Cyclohexanone Oxime through Nitrate Reduction on a Zn-Cu Alloy Catalyst

Efficient mapping of CO adsorption on Cu_(1-x)M_x bimetallic alloys via Machine Learning

Anti-Friedel-Crafts alkylation via electron donor-acceptor photoinitiated autocatalysis

DART: Unlocking Coordination Chemistry Beyond the Cambridge Structural Database

8 results in Authors: Max Garcia-Melchor