Selected Publications

13. The right isotherms for the right reasons? Validation of generic force fields for prediction of methane adsorption in metal-organic frameworks
Lennox, M. J., Bound, M., Henley, A. and Besley, E.
Molecular Simulation 43, 828-837 (2017).
12. Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks.
Moreau, F., Kolokolov, D. I., Stepanov, A. G., Easun, T. L., Dailly, A., Lewis, W., Blake, A. J., Nowell, H., Lennox, M. J., Besley, E., Yang, S. and Schröder, M.
Proceedings of the National Academy of Sciences 114, 3056-3061 (2017).
11. Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal-organic frameworks.
Henley, A., Lennox, M., Easun, T., Moreau, F., Schröder, M. and Besley, E.
Journal of Physical Chemistry C 120, 27342-27348 (2016).
10. Amides do not always work: observation of guest binding in an amide-functionalized porous metal-organic framework.
Benson, O., da Silva, I., Argent, S., Cabot, R., Savage, M., Godfrey, H. G. W., Yan, Y., Parker, S. F., Manuel, P., Lennox, M. J., Mitra, T., Easun, T. L., Lewis, W., Blake, A. J., Besley, E., Yang, S. and Schröder, M.
Journal of the American Chemical Society 138, 14828-14831 (2016).
9. Observation of binding and rotation of methane and hydrogen within a functional metal-organic framework.
Savage, M., da Silva, I., Johnson, M., Carter, J., Newby, R., Suyetin, M., Besley, E., Manuel, P., Rudic, S., Fitch, A., Murray, C., David, W., Yang, S. and Schröder, M.
Journal of the American Chemical Society 138, 9119-9127 (2016).
8. Effective binding of methane using weak hydrogen bond.
Henley, A., Bound, M. and Besley, E.
Journal of Physical Chemistry A 120, 3701-3709 (2016).
7. A robust binary supramolecular organic framework (SOF) with high CO2 adsorption and selectivity.
Lü, J., Perez-Krap, C., Suyetin, M., Alsmail, N. H., Yan, Y., Yang, S., Lewis, W., Bichoutskaia, E., Tang, C. C., Blake, A. J., Cao, R. and Schröder, M.
Journal of the American Chemical Society 136, 12828-12831 (2014).
6. Methane adsorption in metal-organic frameworks containing nanographene linkers: a computational study.
Bichoutskaia, E., Suyetin, M., Bound, M., Yan, Y. and Schröder, M.
Journal of Physical Chemistry C 118, 15573-15580 (2014).
5. A novel bismuth-based metal-organic framework for high volumetric methane and carbon dioxide adsorption.
Savage, M., Yang, S., Suyetin, M., Bichoutskaia, E., Blake, A. J., Barnett, S. A. and Schröder, M.
Chemistry - A European Journal 20, 8024-8029 (2014).
4. Analysis of high and selective uptake of CO2 in an oxamide-contaning {Cu2(OOCR)4} based metal organic framework.
Alsmail, N. H., Suyetin, M., Yan Y., Cabot, R., Krap, C. P., Lü, J., Easun, T. L., Bichoutskaia, E., Lewis W., Blake, A. J. and Schröder, M.
Chemistry - A European Journal 20, 7317-7324 (2014).
3. 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).
2. 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).
1. 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).