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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.

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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 


In Silico Design and Screening of Hypothetical MOF-74 Analogs and Their Experimental Synthesis

M. Witman, S. Ling, S. Anderson, L. Tong, K. Stylianou, B. Slater, B. Smit, and M. Haranczyk, In Silico Design and Screening of …

High-Throughput Computational Screening of Nanoporous Adsorbents for CO2 Capture from Natural Gas

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E. Braun, A. F. Zurhelle, W. Thijssen, S. K. Schnell, L.-C. Lin, J. Kim, J. A. Thompson, and B. Smit, High-Throughput Computational …

Metal-organic framework with optimally selective xenon adsorption and separation

D. Banerjee, C. M. Simon, A. M. Plonka, R. K. Motkuri, J. Liu, X. Chen, B. Smit, J. B. Parise, M. Haranczyk, and P. K. Thallapally,

Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks

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R. Mercado, B. Vlaisavljevich, L.-C. Lin, K. Lee, Y. Lee, J. A. Mason, D. J. Xiao, M. I. Gonzalez, M. T. Kapelewski, J. B. Neaton, …

First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

G. W. Mann, K. Lee, M. Cococcioni, B. Smit, and J. B. Neaton, First-principles Hubbard U approach for small molecule binding in …

Impact of the strength and spatial distribution of adsorption sites on methane deliverable capacity in nanoporous materials

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D. A. Gómez-Gualdrón, C. M. Simon, W. Lassman, D. Chen, R. L. Martin, M. Haranczyk, O. K. Farha, B. Smit, and R. Q. Snurr, Impact …

Cutting the cost of carbon capture: a case for carbon capture & utilization

L. Joos, J. M. Huck, V. Van Speybroeck, and B. Smit, FDCCS16 Cutting the cost of carbon capture: a case for carbon capture & utilization

Pre-transition effects mediate forces of assembly between transmembrane proteins

S. Katira, K. K. Mandadapu, S. Vaikuntanathan, B. Smit, and D. Chandler, Pre-transition effects mediate forces of assembly between …


© Berend Smit 2016