2006
Zurek, E; Pickard, CJ; Walczak, B; Autschbach, J,
"Density functional study of the C-13 NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes",
Journal of Physical Chemistry A, Vol 110, Issue 43, Page 11995-12004.
Mifsud, N; Elena, B; Pickard, CJ; Lesage, A; Emsley, L,
"Assigning powders to crystal structures by high-resolution H-1-H-1 double quantum and H-1-C-13 J-INEPT solid-state NMR spectroscopy and first principles computation. A case study of penicillin G",
Physical Chemistry Chemical Physics, Vol 8, Issue 29, Page 3418-3422.
Ashbrook, SE; Le Polles, L; Gautier, R; Pickard, CJ; Walton, RI,
"Na-23 multiple-quantum MAS NMR of the perovskites NaNbO3 and NaTaO3",
Physical Chemistry Chemical Physics, Vol 8, Issue 29, Page 3423-3431.
Pickard, CJ; Needs, RJ,
Physical Review Letters, Vol 97, Issue 4, Article No. 45504.
Bucknum, MJ; Pickard, CJ; Stamatin, I; Castro, EA,
"On the structure of i-carbon",
Journal of Theoretical & Computational Chemistry, Vol 5, Issue 2, Page 175-185.
Pietrucci, F; Bernasconi, M; Di Valentin, C; Mauri, F; Pickard, CJ,
Physical Review B, Vol 73, Issue 13, Article No. 134112.
Harris, RK; Ghi, PY; Hammond, RB; Ma, CY; Roberts, KJ; Yates, JR; Pickard, CJ,
"Solid-state NMR and computational studies of 4-methyl-2-nitroacetanilide",
Magnetic Resonance in Chemistry, Vol 44, Issue 3, Page 325-333.
Hasnip, PJ; Pickard, CJ,
Computer Physics Communications, Vol 174, Issue 1, Page 24-29.
Harris, RK; Joyce, SA; Pickard, CJ; Cadars, S; Emsley, L,
"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",
Physical Chemistry Chemical Physics, Vol 8, Issue 1, Page 137-143.