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 2005
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Number of items: 6.
Article
A third blind test of crystal structure prediction - G.M. Day, W.D.S. Motherwell, H.L. Ammon, S.X.M. Boerrigter, R.G. Della Valle, E. Venuti, A. Dzyabchenko, J.D. Dunitz, B. Schweizer, B.P. van Eijck, P. Erk, J.C. Facelli, V.E. Bazterra, M.B. Ferraro, D.W.M. Hofmann, F.J.J. Leusen, C. Liang, C.C. Pantelides, P.G. Karamertzanis, S.L. Price, T.C. Lewis, H. Nowell, A. Torrisi, H.A. Scheraga, Y.A. Arnautova, M.U. Schmidt and P. Verwer
Type: Article
| 2005
| Item not available on this server.
Beyond the isotropic atom model in crystal structure prediction of rigid molecules: atomic multipoles versus point charges - Graeme M. Day, W.D. Sam Motherwell and William Jones
Type: Article
| 2005
| Item not available on this server.
Increasing the sensitivity of time-resolved photo-CIDNP experiments by multiple laser flashes and temporary storage in the rotating frame - Martin Goez, Ilya Kuprov and P.J. Hore
Type: Article
| 2005
| Item not available on this server.
Design and performance of a microsecond time-resolved photo-chemically induced dynamic nuclear polarization add-on for a high-field nuclear magnetic resonance spectrometer - I. Kuprov, M. Goez, P.A. Abbott and P.J. Hore
Type: Article
| 2005
| Item not available on this server.
Realizing predicted crystal structures at extreme conditions: the low-temperature and high-pressure crystal structures of 2-chlorophenol and 4-fluorophenol - Iain D.H. Oswald, David R. Allan, Graeme M. Day, W.D. Samuel Motherwell and Simon Parsons
Type: Article
| 2005
| Item not available on this server.
Bidirectional electron transfer in photosystem I: determination of two distances between P700+ and A1- in spin-correlated radical pairs - Stefano Santabarbara, Ilya Kuprov, Wendy V. Fairclough, Saul Purton, Peter J. Hore, Peter Heathcote and Mike C.W. Evans
Type: Article
| 2005
| Item not available on this server.