My research in theoretical organic chemistry has applied computational methods to a wide range of problems, especially organic reaction mechanisms, enzyme catalysis, and kinetic isotope effects. In recent years I have been developing procedures for QM/MM simulations of kinetic isotope effects in condensed-phase reactions, and applying these to study reaction mechanisms in solution and catalyzed by enzymes.

Currently I am Co-Editor of the series Advances in Physical Organic Chemistry, Chair of the IUPAC Subcommittee on Structural and Mechanistic Organic Chemistry, and a member of the Working Group for the Glossary of Terms used in Physical Organic Chemistry.

I am no longer able to accept doctoral students or postdoctoral associates.

I had responsibility for teaching physical organic chemistry and applications of computational modelling to organic chemistry from 1989 to 2018 when I went part-time. As Head of Natural Sciences, I was responsible for introducing the MSci programmes and successfully championing the teaching of Environmental Science. Latterly I was Director of Studies in Chemistry.

Head of Computational Chemistry Group (1995-2018)
Chair of External Advisory Panel for Natural Sciences Programmes, University of York (since 2015)
Associate Member: IUPAC Organic & Biomolecular Division (nominated)