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Max García-Melchor
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5
Anti-Friedel-Crafts alkylation via electron donor-acceptor photoinitiated autocatalysis
12 November 2024 by
David Vahey
and
others
at
University of Cambridge
Theoretical and Computational Chemistry
,
Organic Chemistry
DART: Unlocking Coordination Chemistry Beyond the Cambridge Structural Database
24 October 2024 by
Cian Clarke
and
others
at
Trinity College Dublin
Theoretical and Computational Chemistry
,
Catalysis
Sustainable Electrosynthesis of Cyclohexanone Oxime through Nitrate Reduction on a Zn-Cu Alloy Catalyst
20 December 2023 by
Jonathan Sharp
and
others
at
University of Dublin, Trinity College
Theoretical and Computational Chemistry
,
Catalysis
Driving electrochemical organic hydrogenations on metal catalysts by tailoring hydrogen surface coverages
9 November 2023 by
Tengfei Li
and
others
at
University of Dublin, Trinity College
Catalysis
,
Electrocatalysis
FEFOS: A method to derive oxide formation energies from oxidation states
11 January 2023 by
Michael Craig
and
others
at
Trinity College Dublin
Catalysis
,
Computational Chemistry and Modeling
High-Throughput Screening and Rational Design to Drive Discovery in Molecular Water Oxidation Catalysis
22 February 2021 by
Michael Craig
and
Max García-Melchor
at
Trinity College Dublin
Chemoinformatics
,
Computational Chemistry and Modeling
Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential
29 April 2019 by
Michael Craig
and
others
at
Trinity College Dublin
Computational Chemistry and Modeling
,
Theory
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Topics
Computational Chemistry and Modeling
Catalysis
Electrocatalysis
Heterogeneous Catalysis
Theoretical and Computational Chemistry
Homogeneous Catalysis
Materials Chemistry
Physical Chemistry
Thermodynamics
Chemoinformatics
Theory
Energy Storage
Fuel Cells
Organometallic Compounds
Electrochemistry
