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| 2006 | ||
|---|---|---|
| 3 | Jonathan P. McNamara, Mahesh Sundararajan, Ian H. Hillier, Jun Ge, Andrew Campbell, Claudio Morgado: Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules? Journal of Computational Chemistry 27(12): 1307-1323 (2006) | |
| 2000 | ||
| 2 | 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. Journal of Computational Chemistry 21(16): 1433-1441 (2000) | |
| 1997 | ||
| 1 | Stephen P. Greatbanks, Ian H. Hillier, Paul Sherwood: Comparison of embedded cluster models to study zeolite catalysis: Proton transfer reactions in acidic chabazite. Journal of Computational Chemistry 18(4): 562-568 (1997) | |
Colors in the list of coauthors
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