Research output per year
Research output per year
Research output
- 6 Article
Search results
-
2007
Resolving structures from powders by NMR crystallography using combined proton spin diffusion and plane wave DFT calculations
Pickard, C. J., Salager, E., Pintacuda, G., Elena, B. & Emsley, L., 25 Jul 2007, In: Journal of the American Chemical Society. 129, p. 8932 3 p.Research output: Contribution to journal › Article › peer-review
-
Structure of phase III of solid hydrogen.
Pickard, C. J. & Needs, R. J., Jul 2007, In: Nature Physics. 3, 7, p. 473-476 4 p.Research output: Contribution to journal › Article › peer-review
-
2006
Assigning carbon-13 NMR spectra to crystal structures by the INADEQUATE pulse sequence and first principles computation: a case study of two forms of testosterone
Harris, R., Joyce, S., Pickard, C., Cadars, S. & Emsley, L., 2006, In: Physical Chemistry Chemical Physics. 8, 1, p. 137-143 7 p.Research output: Contribution to journal › Article › peer-review
-
High-pressure phases of silane
Pickard, C. J. & Needs, R. J., Jul 2006, In: Physical Review Letters. 97, 4, p. 0455041-0455044Research output: Contribution to journal › Article › peer-review
-
2005
The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds
Csanyi, G., Littlewood, P. B., Nevidomskyy, A. H., Pickard, C. J. & Simons, B. D., Oct 2005, In: Nature Physics. 1, 1, p. 42-45 4 p.Research output: Contribution to journal › Article › peer-review
-
2002
Accurate First Principles Prediction of 17O NMR Parameters in SiO2: Assignment of the Zeolite Ferrierite Spectrum
Profeta, M., Mauri, F. & Pickard, C. J., 2002, In: Journal of the American Chemical Society. 125, p. 541-548Research output: Contribution to journal › Article › peer-review