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 > School of Chemistry > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)
School of Chemistry > Chemistry (pre 2018 reorg) > Computational Systems Chemistry (pre 2018 reorg)" and Year is 2012
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Number of items: 17.
Molecular structure refinement by direct fitting of atomic coordinates to experimental ESR spectra - G.T.P. Charnock, M. Krzystyniak and Ilya Kuprov
Type: Article
| 2012
| Item not available on this server.
Crystal structure prediction - Graeme M. Day
Type: Book Section
| 2012
| Wiley
| Item not available on this server.
An in vivo ratio control mechanism for phospholipid homeostasis: evidence from lipidomic studies - M.K. Dymond, C.V. Hague, A.D. Postle and G.S. Attard
Type: Article
| 2012
| Item not available on this server.
Type: Article
| 2012
| Item not available on this server.
Type: Conference or Workshop Item
| 2012
| Item availability restricted.
Digital and Physical Labs - Jeremy G. Frey
Type: Conference or Workshop Item
| 2012
“Great expectations”: supporting inter-disciplinary, multi- disciplinary, and open collaborations - Jeremy G. Frey
Type: Conference or Workshop Item
| 2012
Science Ajar: The Opportunities for Open Science - Jeremy G. Frey
Type: Conference or Workshop Item
| 2012
The semantic web meets chemists wet and dry - Jeremy G. Frey
Type: Conference or Workshop Item
| 2012
Single-stranded DNA within nanopores: conformational dynamics and implications for sequencing; a molecular dynamics simulation study - Andrew T. Guy, Thomas J. Piggot and Syma Khalid
Type: Article
| 2012
| Item not available on this server.
Quantum mechanical simulation of solid effect dynamic nuclear polarisation using Krylov–Bogolyubov time averaging and a restricted state-space - Alexander Karabanov, Anniek van der Drift, Luke J. Edwards, Ilya Kuprov and Walter Köckenberger
Type: Article
| 2012
| Item not available on this server.
Physical properties of mixed bilayers containing lamellar and nonlamellar lipids: insights from coarse-grain molecular dynamics simulations - Mario Orsi and Jonathan W. Essex
Type: Article
| 2012
| Item not available on this server.
Quantum dynamics study of the competing ultrafast intersystem crossing and internal conversion in the “channel 3” region of benzene - T. J. Penfold, R Spesyvtsev, O. M. Kirkby, R. S. Minns, D. S. N. Parker, H. H. Fiedling and G. A, Worth
Type: Article
| 2012
| Item not available on this server.
Transient x-ray fragmentation: probing a prototypical photoinduced ring opening - Vladimir Petrovic, Marco Siano, James L White, Nora Berrah, Christoph Bostedt, John D Bozek, Douglas Broege, Max Chalfin, Ryan N Coffee, James Cryan, Li Fang, Joseph P Farrell, Leszek J Frasinski, James M Glownia, Markus Guhr, Matthias Hoener, David M. P Holland, Jahee Kim, Jonathan P Marangos, Todd Martinez, Brian K McFarland, R.S. Minns, Shungo Miyabe, Sebastian Schorb, Roseanne J Sension, Limor S Spector, Richard Squibb, Hongli Tao, Jonathan G Underwood and Philip H Bucksbaum
Type: Article
| 2012
| Item not available on this server.
Molecular dynamics simulations of phosphatidylcholine membranes: a comparative force field study - Thomas J. Piggot, Ángel Piñeiro and Syma Khalid
Type: Article
| 2012
| Item not available on this server.
Improving density functional theory for crystal polymorph energetics - Christopher R. Taylor, Peter J. Bygrave, Judy N. Hart, Neil L. Allan and Frederick R. Manby
Type: Article
| 2012
| Item not available on this server.
Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals - Dongpeng Yan, Amit Delori, Gareth O. Lloyd, Bhavnita Patel, Tomislav Friščić, Graeme M. Day, Dejan-Krešimir Bučar, William Jones, Jun Lu, Min Wei, David G. Evans and Xue Duan
Type: Article
| 2012
| Item not available on this server.