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Items where Division is "Faculty of Natural and Environmental Sciences > Chemistry > Computational Systems Chemistry" and Year is 2007

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Number of items: 8.

Cooper, Timothy G., Jones, William, Motherwell, W. D. Samuel and Day, Graeme M. (2007) Database guided conformation selection in crystal structure prediction of alanine CrystEngComm, 9, (7), pp. 595-602. (doi:10.1039/B702136D).

Cruz Cabeza, Aurora J., Day, Graeme M., Motherwell, W.D. Samuel and Jones, William (2007) Solvent inclusion in form II carbamazepine Chemical Communications, (16), pp. 1600-1602. (doi:10.1039/B701299C).

Cruz Cabeza, Aurora J., Pidcock, Elna, Day, Graeme M., Motherwell, W. D. Sam and Jones, William (2007) Space group selection for crystal structure prediction of solvates CrystEngComm, 9, (7), pp. 556-560. (doi:10.1039/B702073B).

Day, Graeme M., Motherwell, W.D.S. and Jones, W. (2007) A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital Physical Chemistry Chemical Physics, 9, (14), pp. 1693-1704. (doi:10.1039/B612190J).

Kuprov, Ilya, Craggs, Timothy D., Jackson, Sophie E. and Hore, P. J. (2007) Spin relaxation effects in photochemically induced dynamic nuclear polarization spectroscopy of nuclei with strongly anisotropic hyperfine couplings Journal of the American Chemical Society, 129, (29), pp. 9004-9013. (doi:10.1021/ja0705792).

Kuprov, Ilya, Wagner-Rundell, Nicola and Hore, P.J. (2007) Bloch-Redfield-Wangsness theory engine implementation using symbolic processing software Journal of Magnetic Resonance, 184, (2), pp. 196-206. (doi:10.1016/j.jmr.2006.09.023).

Kuprov, Ilya, Wagner-Rundell, Nicola and Hore, P.J. (2007) Polynomially scaling spin dynamics simulation algorithm based on adaptive state-space restriction Journal of Magnetic Resonance, 189, (2), pp. 241-250. (doi:10.1016/j.jmr.2007.09.014).

Lien Nguyen, K., Friščić, Tomislav, Day, Graeme M., Gladden, Lynn F. and Jones, William (2007) Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation Nature Materials, 6, (3), pp. 206-209. (doi:10.1038/nmat1848).

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