The accuracy challenge of the DFT-based molecular assignment of ¹³C MAS NMR characterization of surface intermediates in zeolite catalysis

Alexander A. Kolganov, Anton A. Gabrienko, Ivan Yu Chernyshov, Alexander G. Stepanov, Evgeny A. Pidko

ChemE/Inorganic Systems Engineering

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Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
Kolganov, A. A. (Creator), Gabrienko, A. A. (Creator), Chernyshov, I. Y. (Creator), Stepanov, A. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 1 Oct 2020
DOI: 10.4121/13026671
Dataset/Software: Dataset