Research output
- 16 Article
- 16 results
Search results
-
2018
Integration of an active research data system with a data repository to streamline the research data lifecycle: Pure-NOMAD case study
Conte, S. I., Fina, F., Psalios, M., Reyal, S. M., Lebl, T. & Clements, A., 19 Apr 2018, In: International Journal of Digital Curation. 12, 2, p. 210-219Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2016
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
Open AccessFile -
Paramagnetic NMR of phenolic oxime copper complexes: a joint experimental and density functional study
Buehl, M., Ashbrook, S. E., Dawson, D. M., Doyle, R., Hrobarik, P., Kaupp, M. & Smellie, I. A., 7 Oct 2016, In: Chemistry - A European Journal. 22, 43, p. 15328-15339 11 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2015
An NMR crystallographic approach to monitoring cation substitution in the aluminophosphate STA-2
Seymour, V. R., Eschenroeder, E. C. V., Wright, P. A. & Ashbrook, S. E., 1 Feb 2015, In: Solid State Nuclear Magnetic Resonance. 65, p. 64-74 11 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
New insights into phase distribution, phase composition and disorder in Y2(Zr,Sn)2O7 ceramics from NMR spectroscopy
Ashbrook, S. E., Mitchell, M., Sneddon, S., Moran, R., de los Reyes, M., Lumpkin, G. & Whittle, K., 14 Apr 2015, In: Physical Chemistry Chemical Physics. 17, 14, p. 9049-9059Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Unusual intermolecular “through-space” J couplings in P–Se heterocycles
Sanz Camacho, P., Athukorala Arachchige, K. S., Slawin, A. M. Z., Green, T. F. G., Yates, J. R., Dawson, D. M., Woollins, J. D. & Ashbrook, S. E., 20 May 2015, In: Journal of the American Chemical Society. 137, 19, p. 6172-6175 4 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2014
Calculating NMR parameters in aluminophosphates: evaluation of dispersion correction schemes
Sneddon, S., Dawson, D. M., Pickard, C. J. & Ashbrook, S. E., Feb 2014, In: Physical Chemistry Chemical Physics. 16, 6, p. 2660-2673 14 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Efficient amplitude-modulated pulses for triple- to single-quantum coherence conversion in MQMAS NMR
Colaux, H., Dawson, D. M. & Ashbrook, S. E., 21 Jul 2014, In: Journal of Physical Chemistry A. 118, 31, p. 6018-25 8 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Investigating Relationships between the Crystal Structure and 31P Isotropic Chemical Shifts in Calcined Aluminophosphates
Dawson, D. M. & Ashbrook, S. E., 2014, In: Journal of Physical Chemistry C. 118, 40, p. 23285-23296 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Mixed-metal MIL-100(Sc,M) (M=Al, Cr, Fe) for Lewis acid catalysis and tandem C−C bond formation and alcohol oxidation
Mitchell, L., Williamson, P., Ehrlichova, B., Anderson, A. E., Seymour, V. R., Ashbrook, S. E., Acerbi, N., Daniels, L., Walton, R., Clarke, M. L. & Wright, P. A., 5 Dec 2014, In: Chemistry - A European Journal. 20, 51, p. 17185-17197 14 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2013
Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2
Seymour, V. R., Eschenroeder, E. C. V., Jimenez-Castro, M., Wright, P. A. & Ashbrook, S. E., 21 Nov 2013, In: CrystEngComm. 43, p. 8668-8679 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Structural study of La1-xYxScO3, combining neutron diffraction, solid-state NMR, and first-principles DFT calculations
Johnston, K. E., Mitchell, M., Blanc, F., Lightfoot, P. & Ashbrook, S. E., 7 Feb 2013, In: Journal of Physical Chemistry C. 117, 5, p. 2252-2265 14 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2012
A Multinuclear Solid-State NMR Study of Templated and Calcined Chabazite-Type GaPO-34
Amri, M., Ashbrook, S. E., Dawson, D. M., Griffin, J. M., Walton, R. I. & Wimperis, S., 19 Jul 2012, In: Journal of Physical Chemistry C. 116, 28, p. 15048-15057 10 p.Research output: Contribution to journal › Article › peer-review
-
High-resolution solid-state 13C NMR spectroscopy of the paramagnetic metal-organic frameworks, STAM-1 and HKUST-1
Dawson, D. M., Jamieson, L. E., Mohideen, M. I. H., McKinlay, A. C., Smellie, I. A., Cadou, R., Keddie, N. S., Morris, R. E. & Ashbrook, S. E., Nov 2012, In: Physical Chemistry Chemical Physics. 15, 3, p. 919-929 11 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Ionothermal 17O enrichment of oxides using microlitre quantities of labelled water
Griffin, J. M., Clark, L., Seymour, V. R., Aldous, D. W., Dawson, D. M., Iuga, D., Morris, R. E. & Ashbrook, S. E., Jul 2012, In: Chemical Science. 3, 7, p. 2293-2300Research output: Contribution to journal › Article › peer-review
-
Synthesis and crystal chemistry of the STA-12 family of metal N,N '-piperazinebis(methylenephosphonate)s and applications of STA-12(Ni) in the separation of gases
Wharmby, M. T., Pearce, G. M., Mowat, J. P. S., Griffin, J. M., Ashbrook, S. E., Wright, P. A., Schilling, L.-H., Lieb, A., Stock, N., Chavan, S., Bordiga, S., Garcia, E., Pirngruber, G. D., Vreeke, M. & Gora, L., 15 Jul 2012, In: Microporous and Mesoporous Materials. 157, p. 3-17 15 p.Research output: Contribution to journal › Article › peer-review