Affiliation:
1. Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, 128 43 Prague 2, Czech Republic
Abstract
Operando modelling of 27Al NMR in zeolites, showing the importance of hydration and dynamics in reproducing experimental data. Machine learning analysis obtains a simple correlation of chemical shielding which predicts chemical shifts accurately.
Funder
Grantová Agentura České Republiky
Univerzita Karlova v Praze
Ministerstvo Školství, Mládeže a Tělovýchovy
Publisher
Royal Society of Chemistry (RSC)