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ORCIDIan H. Hillier
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Journal Articles
- 2014
[j7]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): 2255-2260 (2014)- 2010
- [j6]Anitha Ramraj, Ian H. Hillier:
Binding of Pollutant Aromatics on Carbon Nanotubes and Graphite. J. Chem. Inf. Model. 50(4): 585-588 (2010) - 2009
- [j5]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): 913-924 (2009) - 2006
- [j4]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): 1307-1323 (2006) - 2000
- [j3]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): 1433-1441 (2000) - 1997
- [j2]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): 562-568 (1997) - 1991
- [j1]Matthew D. Cooper, Ian H. Hillier:
The implementation of ab initio quantum chemistry calculations on transputers. J. Comput. Aided Mol. Des. 5(3): 171-185 (1991)
Coauthor Index
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