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Personal profile

Research interests

Theoretical and Computational Chemistry The interaction of light and matter gives rise to many fascinating phenomena. Some of these are very poorly understood at present but are exceedingly important in a wide variety of fields across chemistry, physics, biochemistry, new materials, and medicine. Our research is based on theoretical and computational investigations of electronically excited states, including both spectroscopy and photochemistry, from high accuracy studies of small molecules, to supramolecular sensors, and photoactive molecules of biological importance. Such research is vital to understand these processes at the molecular level. 

Research Group Contact Details


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Research Output

  • 107 Article
  • 6 Chapter (peer-reviewed)
  • 2 Comment/debate
  • 1 Literature review
Open Access
  • The influence of substituent position on the excited state dynamics operating in 4-, 5- and 6-hydroxyindole

    Crane, S. W., Ghafur, O., Saalbach, L., Paterson, M. J. & Townsend, D., Jan 2020, In : Chemical Physics Letters. 738, 136870.

    Research output: Contribution to journalArticle

  • The role of the natural transition orbital density in the S0 → S1 and S0 → S2 transitions of fulvene with next generation QTAIM

    Wang, L., Azizi, A., Xu, T., Filatov, M., Kirk, S. R., Paterson, M. J. & Jenkins, S., 16 Jul 2020, In : Chemical Physics Letters. 751, 137556.

    Research output: Contribution to journalArticle

    A systematic construction of configuration interaction wavefunctions in the complete CI space

    Prentice, A. W., Coe, J. P. & Paterson, M. J., 28 Oct 2019, In : The Journal of Chemical Physics. 151, 16, 14 p., 164112.

    Research output: Contribution to journalArticle

    Open Access
  • 36 Downloads (Pure)

    One- and Two-Photon Induced Photochemistry of Fe(CO)5: Insights from Coupled Cluster Response Theory

    Malcomson, T., McKinlay, R. G. & Paterson, M. J., Sep 2019, In : ChemPhotoChem. 3, 9, p. 825-832 8 p.

    Research output: Contribution to journalArticle

    Open Access
    2 Downloads (Pure)