Collaborative Computational Project in NMR Crystallography

Ashbrook, Sharon E. (PI)

School of Chemistry

Project: Standard

Acronym	NMR Crystallography
Status	Finished
Effective start/end date	6/05/20 → 5/05/25

Funding

EPSRC: £10,966.96

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
File
An NMR crystallographic characterisation of solid (+)-usnic acid
Dawson, D. M., Smellie, I. & Ashbrook, S. E., 21 May 2024, In: Physical Chemistry Chemical Physics. 26, 19, p. 14256-14264
Research output: Contribution to journal › Article › peer-review

Open Access
File
Site-directed cation ordering in chabazite-type Al_xGa_1–xPO₄-34 frameworks revealed by NMR crystallography
Dawson, D. M., Clayton, J., Marshall, T., Guillou, N., Walton, R. & Ashbrook, S. E., 28 Mar 2024, In: Chemical Science. 15, 12, p. 4374-4385 12 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File

An NMR Crystallographic Characterisation of Solid (+)-Usnic Acid (dataset)
Dawson, D. M. (Creator), Smellie, I. (Creator) & Ashbrook, S. E. (Creator), University of St Andrews, 23 May 2024
DOI: 10.17630/6593874e-7f56-4530-b1dc-49134f3114ce
Dataset

File
Computational NMR Investigation of Mixed-Metal (Al,Sc)-MIL-53 and its Phase Transitions (dataset)
Davis, Z. H. (Creator), Borthwick, E. A. L. (Creator), Morris, R. E. (Creator) & Ashbrook, S. E. (Creator), University of St Andrews, 29 Sept 2023
DOI: 10.17630/d328524e-e958-4d72-bca6-82edf18cddbf
Dataset

File
Site-Directed Cation Ordering in Chabazite-Type AlxGa1–xPO4-34 Frameworks Revealed by NMR Crystallography (dataset)
Dawson, D. M. (Creator), Clayton, J. (Creator), Marshall, T. (Creator), Guillou, N. (Creator), Walton, R. (Creator) & Ashbrook, S. E. (Creator), University of St Andrews, 22 Feb 2024
DOI: 10.17630/bfd854cf-cd91-4007-9df5-d3d1df378995
Dataset

File