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Publications with the keyword "ab initio molecular dynamics"

M. Jin, M. Ravi, C. Lei, C. J. Heard, F. Brivio, Z. Tosner, L. Grajciar, J. A. van Bokhoven et al.
Dynamical Equilibrium between Bronsted and Lewis Sites in Zeolites: Framework-Associated Octahedral Aluminum
Angewandte Chemie International Edition 62(31), 2023 DOI BibTeX
ab initio molecular dynamicsoctahedral aluminumsolid-state nmrzeolite hydrolysiszeolites