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Ian H Williams
Ian H Williams
Professor Emeritus of Chemistry, University of Bath
Verified email at bath.ac.uk - Homepage
Title
Cited by
Cited by
Year
Theoretical modelling of specific solvation effects upon carbonyl addition
IH Williams
Journal of the American Chemical Society 109 (21), 6299-6307, 1987
1641987
Theoretical models for solvation and catalysis in carbonyl addition
IH Williams, D Spangler, DA Femec, GM Maggiora, RL Schowen
Journal of the American Chemical Society 105 (1), 31-40, 1983
1531983
Transition-state structural refinement with GRACE and CHARMM: Flexible QM/MM modelling for lactate dehydrogenase
AJ Turner, V Moliner, IH Williams
Physical Chemistry Chemical Physics 1 (6), 1323-1331, 1999
1511999
Theoretical models for mechanism and catalysis in carbonyl addition
IH Williams, GM Maggiora, RL Schowen
Journal of the American Chemical Society 102 (27), 7831-7839, 1980
1011980
Theoretical Modeling of Enzyme Catalytic Power:  Analysis of “Cratic” and Electrostatic Factors in Catechol O-Methyltransferase
M Roca, S Martí, J Andrés, V Moliner, I Tuñón, J Bertrán, IH Williams
Journal of the American Chemical Society 125 (25), 7726-7737, 2003
1002003
The thermochemistry of polyoxides and polyoxy radicals
JS Francisco, IH Williams
International Journal of Chemical Kinetics 20 (6), 455-466, 1988
871988
Use and abuse of the distinguished-coordinate method for transition-state structure searching
IH Williams, GM Maggiora
Journal of Molecular Structure: THEOCHEM 89 (3-4), 365-378, 1982
851982
Ruthenium (II)-catalyzed C–H functionalization using the oxazolidinone heterocycle as a weakly coordinating directing group: experimental and computational insights
JA Leitch, PB Wilson, CL McMullin, MF Mahon, Y Bhonoah, IH Williams, ...
ACS Catalysis 6 (8), 5520-5529, 2016
832016
Theoretical investigation of chlorofluorocarbon degradation processes: structures and energetics of XC (0) 0x intermediates (X= F, Cl)
JS Francisco, AN Goldstein, Z Li, Y Zhao, IH Williams
Journal of Physical Chemistry 94 (12), 4791-4795, 1990
831990
Interplay of theory and experiment in the determination of transition-state structure
IH Williams
Chemical Society Reviews 22 (4), 277-283, 1993
681993
QM/MM determination of kinetic isotope effects for COMT-catalyzed methyl transfer does not support compression hypothesis
GD Ruggiero, IH Williams, M Roca, V Moliner, I Tuñón
Journal of the American Chemical Society 126 (28), 8634-8635, 2004
632004
On the representation of force fields for chemically reacting systems
IH Williams
Chemical Physics Letters 88 (5), 462-466, 1982
611982
Barrier heights for hydrogen atom transfer reactions: evaluation of ab initio molecular orbital methods for the degenerate exchange hydroxyl radical+ water. fwdarw. H2O+. bul. OH
AA Nanayakkara, GG Balint-Kurti, IH Williams
The Journal of Physical Chemistry 96 (9), 3662-3669, 1992
531992
Theoretical modeling of compression effects in enzymic methyl transfer
IH Williams
Journal of the American Chemical Society 106 (23), 7206-7212, 1984
511984
Theoretical models for transition-state structure and catalysis in carbonyl addition
IH Williams, D Spangler, DA Femec, GM Maggiora, RL Schowen
Journal of the American Chemical Society 102 (21), 6619-6621, 1980
511980
Ab initio study of the electronic spectrum of HOBr
JS Francisco, MR Hand, IH Williams
The Journal of Physical Chemistry 100 (22), 9250-9253, 1996
501996
Interfacial rheology and heterogeneity of aging asphaltene layers at the water–oil interface
CC Chang, A Nowbahar, V Mansard, I Williams, J Mecca, AK Schmitt, ...
Langmuir 34 (19), 5409-5415, 2018
482018
Theoretical Estimation of the Activation Energy for the Reaction HO + H2O → H2O + OH:  Importance of Tunneling
MR Hand, CF Rodriquez, IH Williams, GG Balint-Kurti
The Journal of Physical Chemistry A 102 (29), 5958-5966, 1998
461998
Transition-state structural refinement with GRACE and CHARMM: realistic modelling of lactate dehydrogenase using a combined quantum/classical method
V Moliner, AJ Turner, IH Williams
Chemical Communications, 1271-1272, 1997
461997
Theoretical probes of activated-complex structure and properties: substituent effects in carbonyl addition
IH Williams, D Spangler, GM Maggiora, RL Schowen
Journal of the American Chemical Society 107 (25), 7717-7723, 1985
461985
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