Ian H. Hillier - researchr alias

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Viewing Publication 1 - 7 from 7

2014

Accurate Prediction of Adsorption Energies on Graphene, Using a Dispersion-Corrected Semiempirical Method Including SolvationMark A. Vincent, Ian H. Hillier. jcisd, 54(8):2255-2260, 2014. [doi]

2010

Binding of Pollutant Aromatics on Carbon Nanotubes and GraphiteAnitha Ramraj, Ian H. Hillier. jcisd, 50(4):585-588, 2010. [doi]

2009

Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 ProteasePedro Fong, Jonathan P. McNamara, Ian H. Hillier, Richard A. Bryce. jcisd, 49(4):913-924, 2009. [doi]

2006

Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules?Jonathan P. McNamara, Mahesh Sundararajan, Ian H. Hillier, Jun Ge, Andrew Campbell, Claudio Morgado. jcc, 27(12):1307-1323, 2006. [doi]

2000

Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutaseRichard J. Hall, Sally A. Hindle, Neil A. Burton, Ian H. Hillier. jcc, 21(16):1433-1441, 2000. [doi]

1997

Comparison of embedded cluster models to study zeolite catalysis: Proton transfer reactions in acidic chabaziteStephen P. Greatbanks, Ian H. Hillier, Paul Sherwood. jcc, 18(4):562-568, 1997. [doi]

1991

The implementation of ab initio quantum chemistry calculations on transputersMatthew D. Cooper, Ian H. Hillier. jcamd, 5(3):171-185, 1991. [doi]

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