List of works - David J Willock - Paulina

List of works by David J Willock

A periodic DFT study of the activation of O2 by Au nanoparticles on α-Fe2O3 ⬇️

scientific article published on 01 January 2011

Aqueous Au-Pd colloids catalyze selective CH4 oxidation to CH3OH with O2 under mild conditions.

scientific article published on 7 September 2017

Bridging model and real catalysts: general discussion

scientific article published on 01 July 2016

CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles

Catalyst design from theory to practice: general discussion

scientific article published on 01 July 2016

Designing new catalysts: synthesis of new active structures: general discussion

scientific article

Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study

scientific article

Materials and Molecular Modeling at the Exascale

scientific article published on 07 January 2022

Mechanistic Insights into Selective Oxidation of Polyaromatic Compounds using RICO Chemistry

scientific article published on 26 June 2018

Oxidation of Polynuclear Aromatic Hydrocarbons using Ruthenium-Ion-Catalyzed Oxidation: The Role of Aromatic Ring Number in Reaction Kinetics and Product Distribution

scientific article published on 13 November 2017

Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts

scientific article published on 30 March 2020

Structural behaviour of copper chloride catalysts during the chlorination of CO to phosgene

scientific article published on 01 September 2018

The adsorption of Cu on the CeO2(110) surface.

scientific article published on 19 September 2017

The challenges of characterising nanoparticulate catalysts: general discussion

scientific article published on 01 September 2018

The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects

scientific article published on 01 September 2018

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