Restructuring of MFI framework zeolite models and their associated artifacts in density functional theory calculations
Published in The Journal of Physical Chemistry C, 2019
Recommended citation: Hoffman, A.; DeLuca, M.; Hibbitts, D. Restructuring of MFI Framework Zeolite Models and Their Associated Artifacts in Density Functional Theory Calculations. J. Phys. Chem. C 2019, 123 (11), 6572–6585. DOI: 10.1021/acs.jpcc.8b12230. http://pubs.acs.org/doi/10.1021/acs.jpcc.8b12230
Recommended citation: Hoffman, A.; DeLuca, M.; Hibbitts, D. Restructuring of MFI Framework Zeolite Models and Their Associated Artifacts in Density Functional Theory Calculations. J. Phys. Chem. C 2019, 123 (11), 6572–6585. DOI: 10.1021/acs.jpcc.8b12230.