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From Crystal to Adsorption Column: Challenges in Multiscale Computational Screening of Materials for Adsorption Separation Processes

https://doi.org/10.1021/acs.iecr.8b03065
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no DOI — not checkedProvost, B. An Improved N2 Model for Predicting Gas Adsorption in MOFs and Using Molecular Simulation to Aid in the Interpretation of SSNMR Spectra of MOFs. Thesis, University of Ottawa, 2015.
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