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List of works by Matthew Quesne

Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes

scientific article

Bulk and surface properties of metal carbides: implications for catalysis.

scientific article published in March 2018

Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study

scientific article published on 14 May 2019

Catalytic mechanism of cofactor-free dioxygenases and how they circumvent spin-forbidden oxygenation of their substrates.

scientific article published on 4 June 2015

Computational modelling of oxygenation processes in enzymes and biomimetic model complexes

scientific article

Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways

scientific article published on 01 April 2020

Cysteine protease inhibition by nitrile-based inhibitors: a computational study

scientific article published on 27 December 2013

Differences and comparisons of the properties and reactivities of iron(III)-hydroperoxo complexes with saturated coordination sphere

scientific article

Direct observation of a nonheme iron(IV)-oxo complex that mediates aromatic C-F hydroxylation.

scientific article published on 23 September 2014

Dramatic influence of an anionic donor on the oxygen-atom transfer reactivity of a Mn(V) -oxo complex

scientific article

Drug Metabolism by Cytochrome P450 Enzymes: What Distinguishes the Pathways Leading to Substrate Hydroxylation Over Desaturation?

scientific article published on 29 April 2015

Experimental and computational evidence for the mechanism of intradiol catechol dioxygenation by non-heme iron(III) complexes

scientific article published on 16 October 2014

Hydrogen adsorption on transition metal carbides: a DFT study

scientific article published in 2019

Hydrogen-bonding interactions trigger a spin-flip in iron(III) porphyrin complexes.

scientific article published on 3 February 2015

Identification and spectroscopic characterization of nonheme iron(III) hypochlorite intermediates.

scientific article published on 6 February 2015

Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces

scientific article published on 13 May 2020

Modelling the bulk properties of ambient pressure polymorphs of zirconia

scientific article published on 01 March 2020

Origin of the Proton-transfer Step in the Cofactor-free (1H)-3-Hydroxy-4-oxoquinaldine 2,4-Dioxygenase: EFFECT OF THE BASICITY OF AN ACTIVE SITE HIS RESIDUE

scientific article

Origin of the Regioselective Fatty-Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?

scientific article published on 25 February 2016

Oxygen-atom transfer reactivity of axially ligated Mn(V)-oxo complexes: evidence for enhanced electrophilic and nucleophilic pathways

scientific article

Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.

scientific article published on 23 December 2015

Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymes

scientific article published on 11 December 2013

Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)–oxo complex: possibility of rearrangement pathways

scientific article published on 13 May 2012

Secondary coordination sphere influence on the reactivity of nonheme iron(II) complexes: an experimental and DFT approach.

scientific article published on 15 July 2013

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