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Article

Bolotov, Vsevolod A. and Kovalenko, Konstantin A. and Samsonenko, Denis G. and Han, Xue and Zhang, Xinran and Smith, Gemma L. and McCormick, Laura and Teat, Simon J. and Yang, Sihai and Lennox, Matthew J. and Henley, Alice and Besley, Elena and Fedin, Vladimir P. and Dybtsev, Danil N. and Schröder, Martin (2018) Enhancement of CO2 uptake and selectivity in a metal-organic framework by incorporation of thiophene functionality. Inorganic Chemisry, 57 (9). pp. 5074-5082. ISSN 0020-1669

Lennox, Matthew J. and Bound, Michelle and Henley, Alice and Besley, Elena (2017) The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks. Molecular Simulation, 43 . pp. 828-837. ISSN 1029-0435

Henley, Alice and Lennox, Matthew J. and Easun, Timothy L. and Moreau, Florian and Schröder, Martin and Besley, Elena (2016) 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. Journal of Physical Chemistry C, 48 (120). pp. 27342-27348. ISSN 1932-7455

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