Ian H. Hillier

Publication Activity (10 Years)

Years Active: 1991-2014
Publications (10 Years): 0

Top Topics

Predictive Model

Computationally Efficient

Completely Automatic

Top Venues

J. Chem. Inf. Model.

Publications

Mark A. Vincent, Ian H. Hillier
Accurate Prediction of Adsorption Energies on Graphene, Using a Dispersion-Corrected Semiempirical Method Including Solvation. J. Chem. Inf. Model. 54 (8) (2014)
Anitha Ramraj, Ian H. Hillier
Binding of Pollutant Aromatics on Carbon Nanotubes and Graphite. J. Chem. Inf. Model. 50 (4) (2010)
Pedro Fong, Jonathan P. McNamara, Ian H. Hillier, Richard A. Bryce
Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease. J. Chem. Inf. Model. 49 (4) (2009)
Jonathan P. McNamara, Mahesh Sundararajan, Ian H. Hillier, Jun Ge, Andrew Campbell, Claudio Morgado
Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules? J. Comput. Chem. 27 (12) (2006)
Richard J. Hall, Sally A. Hindle, Neil A. Burton, Ian H. Hillier
Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase. J. Comput. Chem. 21 (16) (2000)
Stephen P. Greatbanks, Ian H. Hillier, Paul Sherwood
Comparison of embedded cluster models to study zeolite catalysis: Proton transfer reactions in acidic chabazite. J. Comput. Chem. 18 (4) (1997)
Matthew D. Cooper, Ian H. Hillier
The implementation of ab initio quantum chemistry calculations on transputers. J. Comput. Aided Mol. Des. 5 (3) (1991)