Collaborative Computational Project in NMR Crystallography

Ashbrook, Sharon E. (PI)

School of Chemistry

Project: Standard

4 results

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2025
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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2024
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
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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
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2023
Computational NMR investigation of mixed-metal (Al,Sc)-MIL-53 and its phase transitions
Davis, Z. H., Borthwick, E. A. L., Morris, R. E. & Ashbrook, S. E., 21 Oct 2023, In: Physical Chemistry Chemical Physics. 25, 39, p. 26486-26496 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File