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Chemistry of Materials : a Publication of the American Chemical Society|December 18, 2023
Machine Learning Models for Predicting Molecular Diffusion in Metal-Organic Frameworks Accounting for the Impact of Framework FlexibilityYuhan Yang, Zhenzi Yu, David S ShollMacromolecular Rapid Communications|May 29, 2018
Solution-Based 3D Printing of Polymers of Intrinsic MicroporosityFengyi Zhang, Yao Ma, Jianshan Liao, et al.Physical Chemistry Chemical Physics : PCCP|February 4, 2011
Pore size analysis of >250,000 hypothetical zeolitesEmmanuel Haldoupis, Sankar Nair, David S ShollJournal of Physics. Condensed Matter : an Institute of Physics Journal|June 23, 2011
Probing hydrogen interactions with amorphous metals using first-principles calculationsShiqiang Hao, M Widom, David S ShollThe Journal of Physical Chemistry Letters|August 12, 2015
Computational Prediction of Metal Organic Frameworks Suitable for Molecular Infiltration as a Route to Development of Conductive MaterialsXiaowa Nie, Ambarish Kulkarni, David S ShollACS Applied Materials & Interfaces|September 8, 2022
Curated Collection of More than 20,000 Experimentally Reported One-Dimensional Metal-Organic FrameworksFarhad Gharagheizi, Zhenzi Yu, David S ShollThe Journal of Physical Chemistry. B|January 15, 2021
Adsorption-Based Separation of Near-Azeotropic Mixtures-A Challenging Example for High-Throughput Development of AdsorbentsDai Tang, Farhad Gharagheizi, David S ShollPhysical Chemistry Chemical Physics : PCCP|May 10, 2023
Interpreting inorganic compositional depth profiles to understand the rate-limiting step in vapor phase infiltration processesShuaib A Balogun, Yi Ren, Ryan P Lively, et al.Chemical Communications (Cambridge, England)|October 17, 2022
Unblocking a rigid purine MOF for kinetic separation of xylenesRichelle Lyndon, Yuxiang Wang, Ian M Walton, et al.The Journal of Chemical Physics|June 8, 2022
Gaussian approximation of dispersion potentials for efficient featurization and machine-learning predictions of metal-organic frameworksSihoon Choi, David S Sholl, Andrew J MedfordPageof 22