Items where Division is "Faculty of Natural and Environmental Sciences > Chemistry > Computational Systems Chemistry" and Year is 2009

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Number of items: 7.

B

Borkum, Mark, Coles, Simon J. and Frey, Jeremy G. (2009) Integration of oreChem with the eCrystals repository for crystal structures. In, 9th UK e-Science All Hands Meeting, Oxford, GB, 07 - 09 Dec 2009. 3pp.

C

Coropceanu, Veaceslav, Sánchez-Carrera, Roel S., Paramonov, Pavel, Day, Graeme M. and Brédas, Jean-Luc (2009) Interaction of charge carriers with lattice vibrations in organic molecular semiconductors: Naphthalene as a case study. The Journal of Physical Chemistry C, 113, (11), 4679-4686. (doi:10.1021/jp900157p).

Cruz-Cabeza, Aurora J., Day, Graeme M. and Jones, William (2009) Predicting inclusion behaviour and framework structures in organic crystals. Chemistry - A European Journal, 15, (47), 13033-13040. (doi:10.1002/chem.200901703).

D

Day, Graeme M., Cooper, Timothy G., Cruz-Cabeza, Aurora J., Hejczyk, Katarzyna E., Ammon, Herman L., Boerrigter, Stephan X.M., Tan, Jeffrey S., Della Valle, Raffaele G., Venuti, Elisabetta, Jose, Jovan, Gadre, Shridhar R., Desiraju, Gautam R., Thakur, Tejender S., van Eijck, Bouke P., Facelli, Julio C., Bazterra, Victor E., Ferraro, Marta B., Hofmann, Detlef W.M., Neumann, Marcus A., Leusen, Frank J J., Kendrick, John, Price, Sarah L., Misquitta, Alston J., Karamertzanis, Panagiotis G., Welch, Gareth W.A., Scheraga, Harold A., Arnautova, Yelena A., Schmidt, Martin U., van de Streek, Jacco, Wolf, Alexandra K. and Schweizer, Bernd (2009) Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test. Acta Crystallographica Section B Structural Science, 65, (2), 107-125. (doi:10.1107/S0108768109004066).

H

Hudec, René, Mills, B., Rogers, E.T.F., Grant-Jacob, J., Stebbings, S.L., Praeger, M., de Paula, A.M., Froud, C.A., Chapman, R.T., Butcher, T.J., Brocklesby, W.S., Frey, J.G. and Pina, Ladislav (2009) EUV off-axis focusing using a high harmonic source. In, SPIE Europe Conference on EUV and X-Ray Optics - Synergy between Laboratory and Space/Optics + Optoelectronics Symposium, Prague, Czech Republic, 20 - 22 Apr 2009. (doi:10.1117/12.820682).

K

Kuprov, Ilya and Rodgers, Christopher T. (2009) Derivatives of spin dynamics simulations. The Journal of Chemical Physics, 131, (23), 234108-[8 pages]. (doi:10.1063/1.3267086).

P

Parrott, Edward P.J., Zeitler, J. Axel, Friščić, Tomislav, Pepper, Michael, Jones, William, Day, Graeme M. and Gladden, Lynn F. (2009) Testing the sensitivity of terahertz spectroscopy to changes in molecular and supramolecular structure: a study of structurally similar cocrystals. Crystal Growth & Design, 9, (3), 1452-1460. (doi:10.1021/cg8008893).

This list was generated on Wed Oct 1 13:16:44 2014 BST.