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Items where Division is "Faculty of Natural and Environmental Sciences > Chemistry > Computational Systems Chemistry" and Year is 2008

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Number of items: 10.


Burley, Jonathan C., Gilmour, Ryan, Prior, Timothy J. and Day, Graeme M. (2008) Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study Acta Crystallographica Section C Crystal Structure Communications, 64, (1), o10-o14. (doi:10.1107/S0108270107051396).


Chen, Min, Khalid, Syma, Sansom, Mark S.P. and Bayley, Hagan (2008) Outer membrane protein G: engineering a quiet pore for biosensing Proceedings of the National Academy of Sciences of the United States of America, 105, (17), pp. 6272-6277. (doi:10.1073/pnas.0711561105).

Cooper, Timothy G., Hejczyk, Katarzyna E., Jones, William and Day, Graeme M. (2008) Molecular polarization effects on the relative energies of the real and putative crystal structures of Valine Journal of Chemical Theory and Computation, 4, (10), pp. 1795-1805. (doi:10.1021/ct800195g).

Cruz-Cabeza, Aurora J., Day, Graeme M. and Jones, William (2008) Towards prediction of stoichiometry in crystalline multicomponent complexes Chemistry - A European Journal, 14, (29), pp. 8830-8836. (doi:10.1002/chem.200800668).


Karamertzanis, Panagiotis G., Day, Graeme M., Welch, Gareth W.A., Kendrick, John, Leusen, Frank J.J., Neumann, Marcus A. and Price, Sarah L. (2008) Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs Journal of Chemical Physics, 128, (24), 244708-[17pp]. (doi:10.1063/1.2937446).

Kenwright, Alan M., Kuprov, Ilya, De Luca, Elena, Parker, David, Pandya, Shashi U., Senanayake, P. Kanthi and Smith, David G. (2008) 19F NMR based pH probes: lanthanide(iii) complexes with pH-sensitive chemical shifts Chemical Communications, (22), pp. 2514-2516. (doi:10.1039/B802838A).

Khalid, Syma, Bond, Peter J., Holyoake, John, Hawtin, Robert W. and Sansom, Mark S.P. (2008) DNA and lipid bilayers: self-assembly and insertion Journal of the Royal Society, Interface, 5, (S3), supplement 3, pp. 241-250. (doi:10.1098/rsif.2008.0239.focus). (PMID:18765335).

Kuprov, Ilya (2008) Polynomially scaling spin dynamics II: further state-space compression using Krylov subspace techniques and zero track elimination Journal of Magnetic Resonance, 195, (1), pp. 45-51. (doi:10.1016/j.jmr.2008.08.008).


Maeda, Kiminori, Henbest, Kevin B, Cintolesi, Filippo, Kuprov, Ilya, Rodgers, Christopher T., Liddell, Paul A., Gust, Devens, Timmel, Christiane R. and Hore, P. J. (2008) Chemical compass model of avian magnetoreception Nature, 453, (7193), pp. 387-390. (doi:10.1038/nature06834). (PMID:18449197).


Palmer, David S., Llinàs, Antonio, Morao, Iñaki, Day, Graeme M., Goodman, Jonathan M., Glen, Robert C. and Mitchell, John B.O. (2008) Predicting intrinsic aqueous solubility by a thermodynamic cycle Molecular Pharmaceutics, 5, (2), pp. 266-279. (doi:10.1021/mp7000878).

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