Research output per year
Research output per year
Project Details
| Acronym | Solid-State Theory EP/C007573/1 |
|---|---|
| Status | Finished |
| Effective start/end date | 1/04/06 → 29/02/08 |
Funding
- EPSRC: £101,246.95
Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
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Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state
Joyce, S. A., Yates, J. R., Pickard, C. J. & Brown, S. P., 24 Sept 2008, In: Journal of the American Chemical Society. 130, p. 12663-12670 8 p.Research output: Contribution to journal › Article › peer-review
62 Citations (Scopus) -
Quantifying weak hydrogen bonding in uracil and 4-cyano-4 '-ethynylbiphenyl: A combined computational and experimental investigation of NMR chemical shifts in the solid state
Uldry, A.-C., Griffin, J. M., Yates, J. R., Perez-Torralba, M., Maria, M. D. S., Webber, A. L., Beaumont, M. L. L., Samoson, A., Claramunt, R. M., Pickard, C. J. & Brown, S. P., 23 Jan 2008, In: Journal of the American Chemical Society. 130, p. 945-954 10 p.Research output: Contribution to journal › Review article › peer-review
107 Citations (Scopus) -
A first principles theory of nuclear magnetic resonance J-coupling in solid-state systems
Joyce, S. A., Yates, J. R., Pickard, C. J. & Mauri, F., 28 Nov 2007, In: Journal of Chemical Physics. 127, 9 p., 204107.Research output: Contribution to journal › Article › peer-review
76 Citations (Scopus)