Ian Williams

Prof

Professor, Department of Chemistry

Phone+44 (0) 1225 386625
EmailI.H.Williams@bath.ac.uk

WESSEX HOUSE 1.19

Accepting Doctoral Students

Research output per year

If you made any changes in Pure these will be visible here soon.

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 doctoral students

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

Fingerprint

Dive into the research topics where Ian Williams is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Network

Recent external collaboration on country level. Dive into details by clicking on the dots.

1 Not started
4 Finished

David Parkin Visiting Professorship (Vicent Moliner)
Williams, I. & Moliner, V.
Project: Research-related funding
ICPOC-20 Korea
Williams, I.
The Royal Society
21/08/10 → 28/08/10
Project: Research council
WATOC08
Williams, I.
The Royal Society
8/09/08 → 19/09/08
Project: Research council
A COMPUTATIONAL FRAMEWORK FOR INTERPRETATION OF KINETIC ISOT OPE EFFECTS FOR ORGANIC REACTIONS IN SOLUTION
Williams, I.
Engineering and Physical Sciences Research Council
1/12/06 → 30/11/09
Project: Research council
A COMPUTATIONAL MODEL FOR SIALIDASE AND SIALYTRANSFERASE MEC HANISM
Williams, I.
Biotechnology and Biological Sciences Research Council
1/04/05 → 31/03/08
Project: Research council

134 Article
6 Comment/debate
5 Chapter
4 Editorial
More

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 journal › Article › peer-review

Open Access
File
1 Citation (Scopus)

13 Downloads (Pure)
Critical evaluation of anharmonicity and configurational averaging in QM/MM modelling of equilibrium isotope effects
Roca, M., Upfold, C. M. & Williams, I., 28 Jul 2020, In: Physical Chemistry Chemical Physics . 22, 28, p. 16267-16276 10 p.
Research output: Contribution to journal › Article › peer-review

Open Access
1 Citation (Scopus)
G-Protein coupled receptors: Structure and function in drug discovery
Odoemelam, C. S., Percival, B., Wallis, H., Chang, M. W., Ahmad, Z., Scholey, D., Burton, E., Williams, I. H., Kamerlin, C. L. & Wilson, P. B., 31 Oct 2020, In: RSC Advances. 10, 60, p. 36337-36348 12 p.
Research output: Contribution to journal › Review article › peer-review

Open Access
Influence of Dielectric Environment upon Isotope Effects on Glycoside Heterolysis: Computational Evaluation and Atomic Hessian Analysis
Świderek, K., Porter, A. J., Upfold, C. M. & Williams, I. H., 22 Jan 2020, In: Journal of the American Chemical Society. 142, 3, p. 1556-1563 8 p.
Research output: Contribution to journal › Article › peer-review

Open Access
3 Citations (Scopus)
Transition-state vibrational analysis and isotope effects for COMT-catalyzed methyl transfer
Roca, M. & Williams, I., 9 Sep 2020, In: Journal of the American Chemical Society. 142, 36, p. 15548–15559 12 p.
Research output: Contribution to journal › Article › peer-review

Open Access