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Items where Division is "Current Faculties > Faculty of Engineering and Physical Sciences > School of Chemistry > Computational Systems Chemistry
School of Chemistry > Computational Systems Chemistry" and Year is 2016

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Group by: No Grouping | Authors/Creators | Item Type
Number of items: 5.

Advanced potential energy surfaces for molecular simulation - Alex Albaugh, Henry A. Boateng, Richard Bradshaw, Omar N. Demerdash, Jacek Dziedzic, Yuezhi Mao, Daniel T. Margul, Jason Swails, Qiao Zeng, David A. Case, Peter Eastman, Lee-Ping Wang, Jonathan Essex, Martin Head-Gordon, Vijay S. Pande, Jay W. Ponder, Yihan Shao, Chris Skylaris, Ilian T. Todorov, Mark E. Tuckerman and Teresa Head-Gordon
Type: Article | 2016

Convergence properties of crystal structure prediction by quasi-random sampling - David H. Case, Josh E. Campbell, Peter J. Bygrave and Graeme M. Day
Type: Article | 2016

Type: Dataset | 2016 | Durham University | Item not available on this server.

Charge dynamics at the silica-electrolyte interface - Benjamin Lowe, Yasushi Shibuta, Toshiya Sakata, Chris Skylaris and Nicolas Green
Type: Conference or Workshop Item | 2016 | Item not available on this server.

Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells - Salah Mansour, Anna Tocheva, Chris Cave-Ayland, Moritz M. Machelett, Barbara Sander, Nikolai M. Lissin, Peter E. Molloy, Mark S. Baird, Gunthard Stubs, Nicolas W.J. Schroder, Ralf R. Schumann, Jorg Rademann, Anthony D. Postle, Bent K. Jakobsen, Ben G. Marshall, Rajendra Gosain, Paul Elkington, Tim Elliott, Chris-Kriton Skylaris, Jonathan W. Essex, Ivo Tews and Stephan D. Gadola
Type: Article | 2016

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