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2018

Bolotov, Vsevolod A., Kovalenko, Konstantin A., Samsonenko, Denis G., Han, Xue, Zhang, Xinran, Smith, Gemma L., McCormick, Laura, Teat, Simon J., Yang, Sihai, Lennox, Matthew J., Henley, Alice, Besley, Elena, Fedin, Vladimir P., 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

2017

Lennox, Matthew J., Bound, Michelle, 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

Moreau, Florian, Kolokolov, Daniil L., Stepanov, Alexander G., Easun, Timothy L., Dailly, Anne, Lewis, William, Blake, Alexander J., Nowell, Harriett, Lennox, Matthew J., Besley, Elena, Yang, Sihai and Schröder, Martin (2017) Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks. Proceedings of the National Academy of Sciences, 114 (2). pp. 3056-3061. ISSN 1091-6490

2016

Henley, Alice, Lennox, Matthew J., Easun, Timothy L., Moreau, Florian, 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

Benson, Oguarabau, Da Silva, Ivan, Argent, Stephen P., Cabot, Rafel, Savage, Mathew, Godfrey, Harry G.W., Yan, Yong, Parker, Stewart F., Manuel, Pascal, Lennox, Matthew J., Mitra, Tamoghna, Easun, Timothy L., Lewis, William, Blake, Alexander J., Besley, Elena, Yang, Sihai and Schröder, Martin (2016) Amides do not always work: observation of guest binding in an amide-functionalised porous host. Journal of the American Chemical Society, 138 (45). pp. 14828-14831. ISSN 1520-5126

Lennox, Matthew J. and Düren, Tina (2016) Understanding the kinetic and thermodynamic origins of xylene separation in UiO-66(Zr) via molecular simulation. Journal of Physical Chemistry C . ISSN 1932-7455 (In Press)