Ian H. Hillier

According to our database1, Ian H. Hillier authored at least 7 papers between 1991 and 2014.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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Links

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Bibliography

2014
Accurate Prediction of Adsorption Energies on Graphene, Using a Dispersion-Corrected Semiempirical Method Including Solvation.
J. Chem. Inf. Model., 2014

2010
Binding of Pollutant Aromatics on Carbon Nanotubes and Graphite.
J. Chem. Inf. Model., 2010

2009
Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease.
J. Chem. Inf. Model., 2009

2006
Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules?
J. Comput. Chem., 2006

2000
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., 2000

1997
Comparison of embedded cluster models to study zeolite catalysis: Proton transfer reactions in acidic chabazite.
J. Comput. Chem., 1997

1991
The implementation of ab initio quantum chemistry calculations on transputers.
J. Comput. Aided Mol. Des., 1991


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