Publication

D. Willimetz, A. Erlebach, C. J. Heard and L. Grajciar

27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction

Digital Discovery, 2025 DOI BibTeX

Reference

@article{Willimetz_2025,
  author = "D. Willimetz and A. Erlebach and C. J. Heard and L. Grajciar",
  title = "27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction",
  year = 2025,
  journal = "Digital Discovery",
  publisher = "Royal Society of Chemistry (RSC)",
  doi = "10.1039/d4dd00306c",
  url = "http://dx.doi.org/10.1039/D4DD00306C"
}