Computational modelling in catalytic science
Abstract
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- This article is part of the themed collection: Computational Modelling as a Tool in Catalytic Science
* Corresponding authors
a
Department of Chemistry, University College London, 20 Gordon St, London WC1H 0AJ, UK
E-mail:
c.r.a.catlow@ucl.ck.uk
b UK Catalysis Hub, Research Complex at Harwell, Rutherford Appleton Laboratory, Harwell Oxford, Didcot OX11 0FA, UK
c
School of Chemistry, Cardiff University, Park Place Cardiff, UK
E-mail:
quesnem@cardiff.ac.uk
d
School of Chemistry, Joseph Bank Laboratories, Brayford Pool, Lincoln University, Lincoln, UK
E-mail:
achutia@lincoln.ac.uk
A graphical abstract is available for this content
C. R. A. Catlow, A. Chutia and M. G. Quesne, Phys. Chem. Chem. Phys., 2023, 25, 20775 DOI: 10.1039/D3CP90127K
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