Data underpinning - Hunting for Hydrogen: Random Structure Searching and Prediction of NMR Parameters of Hydrous Wadsleyite

Robert Moran (Creator)
David McKay (Creator)
Chris J Pickard (Creator)
Andrew Berry (Creator)
John Griffin (Creator)
Sharon E. Ashbrook (Creator)

Dataset

Date made available	21 Mar 2016
Publisher	University of St Andrews

Contact

[email protected]

DOI
10.17630/f22628a9-6349-48b7-a5b8-5fd589468eaf

Access Dataset

rawdata.zip
File: multipart/x-zip, 3.47 MB
Type: Dataset
Licence: CC BY

4 Finished

NMR Crystallography: Collaborative Computational Project in NMR Crystallography - Collaborative Agreement
Ashbrook, S. E. (PI)
EPSRC
1/04/15 → 31/03/20
Project: Standard
EXONMR: EU FP7 Consolidator 2013 EXONMR
Ashbrook, S. E. (PI)
European Research Council
1/04/14 → 30/09/19
Project: Standard
EPSRC Institutional Sponsorship 2012: EPSRC Institutional Sponsorship 2012
Hawkesworth, C. (PI)
EPSRC
1/04/12 → 31/03/13
Project: Standard

1 Article

Hunting for hydrogen: random structure searching and prediction of NMR parameters of hydrous wadsleyite
Moran, R., McKay, D., Pickard, C. J., Berry, A. J., Griffin, J. M. & Ashbrook, S. E., 21 Apr 2016, In: Physical Chemistry Chemical Physics. 18, 15, p. 10173-10181 9 p.
Research output: Contribution to journal › Article › peer-review

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