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Items where Department is "Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing"

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Number of items: 15.

Journal Article

AragΓ³, Juan and Troisi, Alessandro (2015) Dynamics of the excitonic coupling in organic crystals. Physical Review Letters, 114 (2). 026402. doi:10.1103/PhysRevLett.114.026402 ISSN 0031-9007.

AragΓ³, Juan and Troisi, Alessandro (2015) Excitonic couplings between molecular crystal pairs by a multistate approximation. The Journal of Chemical Physics, 142 (16). 164107. doi:10.1063/1.4919241 ISSN 0021-9606.

Baker, Lewis A., Horbury, Michael D., Greenough, Simon E., Allais, Florent, Walsh, Patrick S., Habershon, Scott and Stavros, Vasilios G. (2015) Ultrafast photoprotecting sunscreens in natural plants. The Journal of Physical Chemistry Letters, 7 (1). pp. 56-61. doi:10.1021/acs.jpclett.5b02474 ISSN 1948-7185.

Fornari, Rocco P., AragΓ³, Juan and Troisi, Alessandro (2015) A very general rate expression for charge hopping in semiconducting polymers. The Journal of Chemical Physics, 142 (18). 184105. doi:10.1063/1.4920945 ISSN 0021-9606.

Freeman, Colin L., Harding, John H., Quigley, David and Rodge, P. Mark (2015) How does an amorphous surface influence molecular binding? – ovocleidin-17 and amorphous calcium carbonate. Physical Chemistry Chemical Physics, 17 (26). pp. 17494-17500. doi:10.1039/c5cp00434a ISSN 1463-9076.

Goldsborough, Andrew M., Rautu, Stefan Alexandru and RΓΆmer, Rudolf A. (2015) Leaf-to-leaf distances and their moments in finite and infinite m-ary tree graphs. Journal of physics A : mathematical and theoretical, 91 . pp. 1-9. 042133. doi:10.1103/PhysRevE.91.042133 ISSN 1751-8113.

Heal, Jack W., Wells, Stephen A., Blindauer, Claudia A., Freedman, R. B. and RΓΆmer, Rudolf A. (2015) Characterization of folding cores in the cyclophilin A-cyclosporin A complex. Biophysical Journal, Volume 108 (Number 7). pp. 1739-1746. doi:10.1016/j.bpj.2015.02.017 ISSN 0006-3495.

Holloway, Craig R., Dyson, Rosemary J. and Smith, D. J. (David J.) (2015) Linear Taylor–Couette stability of a transversely isotropic fluid. Proceedings of the Royal Society A : mathematical, physical and engineering sciences, 471 (2178). pp. 1-13. 20150141. doi:10.1098/rspa.2015.0141 ISSN 1364-5021.

Lee, Myeong H., AragΓ³, Juan and Troisi, Alessandro (2015) Charge dynamics in organic photovoltaic materials : interplay between quantum diffusion and quantum relaxation. The Journal of Physical Chemistry Part C, 119 (27). pp. 14989-14998. doi:10.1021/acs.jpcc.5b03989 ISSN 1932-7447.

Lusczek, Elizabeth R., Vincente, Tyrone, Lexcen, Daniel, Kulkarni, Vishwesh V., Mulier, Kristine and Beilman, Greg (2015) Metabolic networks in a porcine model of trauma and hemorrhagic shock demonstrate different control mechanism with carbohydrate pre-feed. BMC Emergency Medicine, 15 (13). pp. 1-7. doi:10.1186/s12873-015-0038-1 ISSN 1471-227X.

Marsden, Alexander J., Brommer, Peter, Mudd, James J., Dyson, Mark Adam, Cook, Robert M., Asensio, María, Avila, José, Levy, Ana, Sloan, Jeremy, Quigley, David, Bell, Gavin R. and Wilson, Neil R. (2015) Effect of oxygen and nitrogen functionalization on the physical and electronic structure of graphene. Nano Research . pp. 1-16. doi:10.1007/s12274-015-0768-0 ISSN 1998-0124.

Oswald, Josef and RΓΆmer, Rudolf A. (2015) Imaging of condensed quantum states in the quantum hall effect regime. Physics Procedia, 75 . pp. 314-325. doi:10.1016/j.phpro.2015.12.038 ISSN 1875-3892.

Reddy, G. N. Manjunatha , Marsh, Andrew, Davis, Jeffery T., Masiero, Stefano and Brown, Steven P. (2015) Interplay of non-covalent interactions in ribbon-like guanosine self-assembly : a NMR crystallography study. Crystal Growth & Design, 15 (12). pp. 5945-5954. acs.cgd.5b01440. doi:10.1021/acs.cgd.5b01440 ISSN 1528-7483.

Rutter, Gil, Brown, Aaron H., Quigley, David, Walsh, Tiffany R. and Allen, M. P. (2015) Testing the transferability of a coarse-grained model to intrinsically disordered proteins. Physical Chemistry Chemical Physics, 17 (47). pp. 31741-31749. doi:10.1039/c5cp05652g ISSN 1463-9076.

Xu, Yuanwei and Rodger, P. Mark (2015) Improved estimation of density of states for Monte Carlo sampling via MBAR. Journal of chemical theory and computation, 11 (10). pp. 4565-4572. doi:10.1021/acs.jctc.5b00189 ISSN 1549-9618.

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