Ian Williams

Prof

  • WESSEX HOUSE 1.19

Accepting PhD Students

1974 …2020

Research output per year

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Personal profile

Research interests

Application of computational methods to problems in physical organic chemistry, especially the interpretation of kinetic isotope effects for reactions in solution and catalyzed by enzymes.

Willing to supervise PhD

Isotope effect calculations in the supramolecular age

Teaching interests

Computational chemistry

Physical organic chemistry

Keywords

  • Quantum Chemistry
  • Computer simulation
  • Physical organic chemistry
  • Isotope effects
  • Enzyme mechanism

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Projects

David Parkin Visiting Professorship (Vicent Moliner)

Williams, I. & Moliner, V.

Project: Research-related funding

ICPOC-20 Korea

Williams, I.

The Royal Society

21/08/1028/08/10

Project: Research council

WATOC08

Williams, I.

The Royal Society

8/09/0819/09/08

Project: Research council

  • Research Output

    Computational simulation of mechanism and isotope effects on acetal heterolysis as a model for glycoside hydrolysis.

    Williams, I., Glancy, J. H., Lee, D. M. & Read, E. O., 1 Jan 2020, In : Pure and Applied Chemistry. 92, 1, p. 75-84

    Research output: Contribution to journalArticle

    1 Citation (Scopus)
    1 Downloads (Pure)
    Open Access

    The transition state and cognate concepts

    Tuñón, I. & Williams, I. H., 2019, Advances in Physical Organic Chemistry. Williams, I. H. & Williams, N. H. (eds.). Elsevier Academic Press Inc, Vol. 53. p. 29-68 40 p. (Advances in Physical Organic Chemistry; vol. 53).

    Research output: Chapter in Book/Report/Conference proceedingChapter

    File
    9 Downloads (Pure)

    Computational Modeling of a Caged Methyl Cation: Structure, Energetics, and Vibrational Analysis

    Wilson, P. B. & Williams, I. H., 8 Feb 2018, In : Journal of Physical Chemistry A. 122, 5, p. 1432-1438 7 p.

    Research output: Contribution to journalArticle

    Open Access
    File
  • 1 Citation (Scopus)
    54 Downloads (Pure)

    Insights on the origin of catalysis on glycine N-methyltransferase from computational modeling.

    Swiderek, K., Tunon, I., Williams, I. & Moliner, V., 28 Mar 2018, In : Journal of the American Chemical Society. 140, 12, p. 4327-4334 8 p.

    Research output: Contribution to journalArticle

    Open Access
    File
    18 Citations (Scopus)
    37 Downloads (Pure)

    Thesis

    Computational Analyses of the Molecular Behaviour of Membrane Proteins

    Author: Oakes, V., 3 Apr 2019

    Supervisor: Domene, C. (Supervisor) & Williams, I. (Supervisor)

    Student thesis: Doctoral ThesisPhD

    File

    Computational Modelling of Glycosidase Mechanisms: Structural and Mechanistic aspects

    Author: Soliman, M., 1 Aug 2009

    Supervisor: Williams, I. (Supervisor)

    Student thesis: Doctoral ThesisPhD

    File