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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
ab initio molecular dynamics octahedral aluminum solid-state nmr zeolite hydrolysis zeolites

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