Insight into the Atomic-Level Structure of gamma-Alumina Using a Multinuclear NMR Crystallographic Approach (dataset)

Mate Bonifac Legrady (Creator)
Daniel Dawson (Creator)
Paul Webb (Creator)
Sharon E. Ashbrook (Creator)

Dataset

Description

NMR data (acquired on a Bruker spectrometer and can be opened in Topspin), structural models used for computational work (cif files), outputs of DFT calculations (CASTEP files).

Date made available	12 Mar 2025
Publisher	University of St Andrews

Contact

[email protected]

DOI
10.17630/5020123c-d803-4bfd-8228-3e2507f077e4

Access Dataset

rawdata.zip
File: application/zip, 1.19 GB
Type: Dataset
Licence: CC BY

3 Finished

NMR Crystallography: Collaborative Computational Project in NMR Crystallography
Ashbrook, S. E. (PI)
EPSRC
6/05/20 → 5/05/25
Project: Standard
Industry Fellowship: Industry Fellowship
Webb, P. (PI)
The Royal Society
1/03/18 → 30/04/19
Project: Fellowship
NMR Crystallography: Collaborative Computational Project in NMR Crystallography - Collaborative Agreement
Ashbrook, S. E. (PI)
EPSRC
1/04/15 → 31/03/20
Project: Standard

1 Article

Insight into the atomic-level structure of γ-alumina using a multinuclear NMR crystallographic approach
Legrady, M. B., Dawson, D. M., Webb, P. B. & Ashbrook, S. E., 12 Mar 2025, (E-pub ahead of print) In: Chemical Science. Advance Article, 16 p.
Research output: Contribution to journal › Article › peer-review

Open Access
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