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Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis

https://doi.org/10.1021/acs.cgd.9b01050

Bucior, Benjamin J. ; Rosen, Andrew S. ; Haranczyk, Maciej ; Yao, Zhenpeng ; Ziebel, Michael E. ; Farha, Omar K. ; Hupp, Joseph T. ; Siepmann, J. Ilja ; Aspuru-Guzik, Alán ; Snurr, Randall Q. ( September 2019 , Crystal Growth & Design)
Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

https://doi.org/10.1021/acs.jced.9b00835

Chung, Yongchul G. ; Haldoupis, Emmanuel ; Bucior, Benjamin J. ; Haranczyk, Maciej ; Lee, Seulchan ; Zhang, Hongda ; Vogiatzis, Konstantinos D. ; Milisavljevic, Marija ; Ling, Sanliang ; Camp, Jeffrey S. ; et al ( November 2019 , Journal of Chemical & Engineering Data)
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications

https://doi.org/10.1021/acs.chemmater.8b01425

Mercado, Rocío ; Fu, Rueih-Sheng ; Yakutovich, Aliaksandr V. ; Talirz, Leopold ; Haranczyk, Maciej ; Smit, Berend ( August 2018 , Chemistry of Materials)
The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

https://doi.org/10.1021/jacs.7b01688

Witman, Matthew ; Ling, Sanliang ; Jawahery, Sudi ; Boyd, Peter G. ; Haranczyk, Maciej ; Slater, Ben ; Smit, Berend ( April 2017 , Journal of the American Chemical Society)
Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

https://doi.org/10.1021/acs.chemmater.6b04933

Thornton, Aaron W. ; Simon, Cory M. ; Kim, Jihan ; Kwon, Ohmin ; Deeg, Kathryn S. ; Konstas, Kristina ; Pas, Steven J. ; Hill, Matthew R. ; Winkler, David A. ; Haranczyk, Maciej ; et al ( April 2017 , Chemistry of Materials)