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Recent Publications

Transition metal complexes of a salen-fullerene diad: redox and catalytically active nanostructures for delivery of metals in nanotubes. Lebedeva, M. A., Chamberlain, T. W., Davies E. S., Mancel, D., Thomas, B. E., Suyetin, M., Bichoutskaia, E., Schröder, M., Khlobystov, A. N. European Journal of Chemistry, in press (2013).

Coulomb fission in dielectric dication clusters: experiment and theory on steps that may underpin the electrospray mechanism. Chen, X., Bichoutskaia, E. and Stace, A. J. Journal of Physical Chemistry A 117, 3877-3886 (2013). DOI: http://dx.doi.org/10.1021/jp311950p

Inclusion of radiation damage dynamics in high-resolution transmission electron microscopy image simulations: The example of graphene. Santana, A., Zobelli, A., Kotakoski, J., Chuvilin, A. and Bichoutskaia, E. Physical Review B 87, 094110 (2013). DOI: http://dx.doi.org/10.1103/PhysRevB.87.094110

Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal-organic polyhedral framework. Yan, Y., Suyetin, M., Bichoutskaia, E., Blake, A. J., Allan, D. R., Barnett, S. A. and Schröder, M. Edge Article. Chemical Science 4, 1731-1736 (2013). DOI: http://dx.doi.org/10.1039/C3SC21769H

Meso-scale modelling of shock wave propagation in a SiC/Al nanocomposite reinforced with WS2-inorganic fullerene nanoparticles. Volkova, E. I., Jones, A., Brooks, R., Zhu, Y. and Bichoutskaia, E. Composite Structures 96, 601-605 (2013). DOI: http://dx.doi.org/10.1016/j.compstruct.2012.08.039

Stability and dynamics of vacancy in graphene flakes: edge effects. Santana, A., Popov, A. and Bichoutskaia, E. Chem. Phys. Lett. 557, 80-87 (2013). DOI: http://dx.doi.org/10.1016/j.cplett.2012.11.077

Reply to the 'Comment on "Treating highly charged carbon and fullerene clusters as dielectric particles" ' by H. Zettergren and H. Cederquist, Phys. Chem. Chem. Phys. , 2012, 14, DOI: 10.1039/c2cp42883k. Stace, A. J. and Bichoutskaia, E. Phys. Chem. Chem. Phys. 14, 16771-16772 (2012). DOI: http://dx.doi.org/10.1039/C2CP43407E

Electronic excitation in bulk and nanocrystalline alkali halides. Bichoutskaia, E. and Pyper, N. C. J. Chem. Phys. 137, 184104 (2012). DOI: http://dx.doi.org/10.1063/1.4764307

Sequential multiscale modelling of SiC/Al nanocompositeis reinforced with WS2 nanoparticles under static loading. Volkova, E. I., Jones, A., Brooks, R., Zhu, Y. and Bichoutskaia, E. Physical Review B 86, 104111 (2012). DOI: http://dx.doi.org/10.1103/PhysRevB.86.104111

Controlling the regioselectivity of the hydrosilylation reaction in carbon nanoreactors. Solomonsz, W. A., Rance, G. A., Suyetin, M., La Torre, A., Bichoutskaia, E. and Khlobystov, A. N. European Journal of Chemistry 18, 13180-13187 (2012). DOI: http://dx.doi.org/10.1002/chem.201201542

Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bi-functional metal-organic framework. Yang, W., Davies, A. J., Lin, X., Suyetin, M., Matsuda, R., Blake, A. J., Wilson, C., Lewis, W., Parker, J. E., Tang, C. C., George, M. W., Hubberstey, P., Kitagawa, S., Sakamoto, H., Bichoutskaia, E., Champness, N. R., Yang, S. and Schröder, M. Edge Article. Chemical Science 3, 2993-2999 (2012). DOI: http://dx.doi.org/10.1039/C2SC20443F

A partially-interpenetrated metal-organic framework for selective hysteretic sorption of carbon dioxide. Yang, S., Lin, X., Lewis, W., Suyetin, M., Bichoutskaia, E., Parker, J. E., Tang, C. C., Allan, D. R., Rizkallah, P. J., Hubberstey, P., Champness, N. R., Thomas, M. K., Blake, A. J. and Schröder, M. Nature Materials 11, 710-716 (2012). DOI: http://dx.doi.org/10.1038/nmat3343

Aberration corrected imaging of a carbon nanotube encapsulated Lindqvist ion and correlation with density functional theory calculations. Sloan, J., Bichoutskaia, E., Liu, Z., Kuganathan, N., Faulques, E., Suenaga, K. and Shannon, I. Journal of Physics: Conference Series 371, 012018 (2012). DOI: http://dx.doi.org/10.1088/1742-6596/371/1/012018

Absolute electrostatic force between two charged particles in a low dielectric solvent. Stace, A. J. and Bichoutskaia, E. Soft Matter 8, 6210-6213 (2012). DOI: http://dx.doi.org/10.1039/C2SM25602A

Size, structure and helical twist of graphene nanoribbons controlled by confinement in carbon nanotubes. Chamberlain, T. W., Biskupek, J., Rance, G. A., Chuvilin, A., Alexander, T. J., Bichoutskaia, E., Kaiser, U. and Khlobystov, A. N. ACS Nano 6(5), 3943-3953 (2012). DOI: http://dx.doi.org/10.1021/nn300137j

Interactions and reactions of transition metal clusters with the interior of single-walled carbon nanotubes imaged at the atomic scale. Zoberbier, T., Chamberlain, T. W., Biskupek, J., Kuganathan, N., Eyhusen, S., Bichoutskaia, E., Kaiser, U. and Khlobystov, A. N. Journal of the American Chemical Society 134(6), 3073-3079 (2012). DOI: http://dx.doi.org/10.1021/ja208746z

High-precision imaging of an encapsulated Lindqvist ion and correlation of its structure and symmetry with quantum chemical calculations. Bichoutskaia, E., Liu, Z., Kuganathan, N., Faulques, E., Suenaga, K., Shannon, I. and Sloan, J. Nanoscale 4, 1190-1199 (2012). DOI: http://dx.doi.org/10.1039/C2NR11621A This article is contribution to themed issue Modelling of the Nanoscale.

Computational Nanoscience. RSC Theoretical and Computational Chemistry Series. Bichoutskaia, E. (Editor) RSC Publishing 2011, 429 pp. DOI: http://dx.doi.org/10.1039/9781849732680