Items where Division is "Faculty of Natural and Environmental Sciences > Chemistry > Computational Systems Chemistry" and Year is 2012
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Day, Graeme M. (2012) Crystal structure prediction. In, Steed, Jonathan and Gale, Philip A. (eds.) Supramolecular Chemistry: From Molecules to Nanomaterials. Chichester, GB, Wiley. (doi:10.1002/9780470661345.smc109).
Frey, J.G. (2012) Smart labs for smart people: joining physical, digital and personal spaces to facilitate research and learning. S-Lab Conference and Awards 2012, York, GB, 12 - 13 Jun 2012.
Frey, Jeremy G. (2012) Digital and Physical Labs. In, Semantic Chemistry II, Richland, US,
Frey, Jeremy G. (2012) “Great expectations”: supporting inter-disciplinary, multi- disciplinary, and open collaborations. Scholarly outreach, impact and outcomes: The sixth UCL Bloomsbury conference, London, GB, 28 - 29 Jun 2012.
Frey, Jeremy G. (2012) Science Ajar: The Opportunities for Open Science. Transforming Opportunities in Scholarly Discourse, JISC/CNI Conference, Birmingham, GB,
Frey, Jeremy G. (2012) The semantic web meets chemists wet and dry. OSCAT 2012 International Conference On Open Source for Computer - Aided Translational Medicine, Chandigarh, IN, 22 - 25 Feb 2012.
Penfold, T. J., Spesyvtsev, R, Kirkby, O. M., Minns, R. S., Parker, D. S. N., Fiedling, H. H. and Worth, G. A, (2012) Quantum dynamics study of the competing ultrafast intersystem crossing and internal conversion in the “channel 3” region of benzene. The Journal of Chemical Physics, 137, 24310-24311. (doi:10.1063/1.4767054).
Petrovic, Vladimir, Siano, Marco and White, James L et al. (2012) Transient x-ray fragmentation: probing a prototypical photoinduced ring opening. Physical Review Letters, 108, (25), 253006-[5 pages] . (doi:10.1103/PhysRevLett.108.253006).
Yan, Dongpeng, Delori, Amit, Lloyd, Gareth O., Patel, Bhavnita, Friščić, Tomislav, Day, Graeme M., Bučar, Dejan-Krešimir, Jones, William, Lu, Jun, Wei, Min, Evans, David G. and Duan, Xue (2012) Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals. CrystEngComm, 14, (16), 5121-5123. (doi:10.1039/C2CE25217A).
