@misc{https://doi.org/10.4121/13026671.v1,
  doi = {10.4121/13026671.v1},
  url = {https://data.4tu.nl/articles/dataset/Complete_dataset_for_the_publication_The_accuracy_challenge_of_DFT-based_molecular_assignment_of_13C_MAS_NMR_characterization_of_surface_intermediates_in_zeolite_catalysis/13026671/1},
  author = {Kolganov, Alexander and Gabrienko, Anton and Stepanov, Alexander G. and Pidko, Evgeny},
  keywords = {DFT calculations, zeolites, microporous materials, copper, methane activation chemistry, zeolite acid catalysis, nmr prediction algorithms, NMR chemical shift perturbation, Computational Chemistry, Computational chemistry prediction},
  title = {Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis},
  publisher = {4TU.ResearchData},
  year = {2020},
  copyright = {CC BY 4.0},
}