Items where Division is "Faculties (pre 2018 reorg) > Faculty of Natural and Environmental Sciences (pre 2018 reorg) > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)
Current Faculties > Faculty of Engineering and Physical Sciences > Chemistry and Chemical Engineering > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)
Chemistry and Chemical Engineering > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)" and Year is 2004
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Number of items: 6.
Sensitivity of morphology prediction to the force field: paracetamol as an example - H. M. Cuppen, G.M. Day, P. Verwer and H. Meekes
Type: Article
| 2004
| Item not available on this server.
An assessment of lattice energy minimization for the prediction of molecular organic crystal structures - Graeme M. Day, James Chisholm, Ning Shan, W.D. Sam Motherwell and William Jones
Type: Article
| 2004
| Item not available on this server.
Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for imidazole and 5-azauracil - A.E. Gray, G.M. Day, M. Leslie and S.L. Price
Type: Article
| 2004
| Item not available on this server.
The semantic smart laboratory: a system for supporting the chemical eScientist - Gareth Hughes, Hugo Mills, David de Roure, Jeremy Frey, Luc Moreau, m.c. schraefel, Graham Smith and Ed Zaluska
Type: Article
| 2004
Type: Article
| 2004
| Item not available on this server.
Type: Article
| 2004
| Item not available on this server.