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Recent publications

For those of your who like statistics and citation scores; these are compiled here from the Web of Science and here on Google Scholar.

Most of the recent articles we have published are open access. You can find a pdf of the article by cliking on the open access symbol.

High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites

Y. Lee, S. D. Barthel, P. Dlotko, S. M. Moosavi, K. Hess, and B. Smit, High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites J Chem Theory Comput  (2018) http://dx.doi.org/10.1021/acs.jctc.8b00253

In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications

R. Mercado, R.-S. Fu, A. V. Yakutovich, L. Talirz, M. Haranczyk, and B. Smit, In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications Chem Mat. (2018) http://dx.doi.org/10.1021/acs.chemmater.8b01425

Abstract: Here we present a database of 69,840 largely novel covalent organic frameworks assembled in silico from 666 distinct organic linkers and four established synthetic routes. …

Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids

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S. M. Moosavi, P. G. Boyd, L. Sarkisov, and B. Smit, Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids ACS Central Sci.  (2018) http://dx.doi.org/10.1021/acscentsci.8b00157

Abstract: Metal–organic frameworks (MOFs) have emerged as versatile materials for applications ranging from gas separation and storage, catalysis, and sensing. …

Porous Metal–Organic Framework@Polymer Beads for Iodine Capture and Recovery Using a Gas‐Sparged Column

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B. Valizadeh, T. N. Nguyen, B. Smit, and K. C. Stylianou, Porous Metal–Organic Framework@Polymer Beads for Iodine Capture and Recovery Using a Gas‐Sparged Column Adv Funct Mater, 1801596 (2018) http://dx.doi.org/10.1002/adfm.201801596


Abstract: 

Lanthanide-based Near-Infrared Emitting Metal-Organic Frameworks with Tunable Excitation Wavelengths and High Quantum Yields

T. N. Nguyen, G. Capano, A. Gladysiak, F. Ebrahim, S. Eliseeva, A. Chidambaram, B. Valizadeh, S. Petoud, B. Smit, and K. Stylianou, Lanthanide-based Near-Infrared Emitting Metal-Organic Frameworks with Tunable Excitation Wavelengths and High Quantum Yields

Carbon capture and storage (CCS): the way forward

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M. Bui, C. S. Adjiman, A. Bardow, E. J. Anthony, A. Boston, S. Brown, P. S. Fennell, S. Fuss, A. Galindo, L. A. Hackett, J. P. Hallett, H. J. Herzog, G. Jackson, J. Kemper, S. Krevor, G. C. Maitland, M. Matuszewski, I. S. Metcalfe, C. Petit, G. Puxty, J. …

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

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M. Witman, S. Ling, P. Boyd, S. Barthel, M. Haranczyk, B. Slater, and B. Smit, Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites ACS Cent Sci 4 (2), 235 (2018) http://dx.doi.org/10.1021/acscentsci.7b00555

Shedding Light on the Protonation States and Location of Protonated N Atoms of Adenine in Metal–Organic Frameworks

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A. Gładysiak, T. N. Nguyen, S. L. Anderson, P. G. Boyd, R. G. Palgrave, J. Bacsa, B. Smit, M. J. Rosseinsky, and K. C. Stylianou, Shedding Light on the Protonation States and Location of Protonated N Atoms of Adenine in Metal–Organic Frameworks Inorg Chem


© Berend Smit 2018