Publications 03

2003

Farnan, I; Balan, E; Pickard, CJ; Mauri, F,

"The effect of radiation damage on local structure in the crystalline fraction of ZrSiO4: Investigating the Si-29 NMR response to pressure in zircon and reidite",

American Mineralogist, Vol 88, Issue 11-12, Page 1663-1667.

Balan, E; Mauri, F; Pickard, CJ; Farnan, I; Calas, G,

"The aperiodic states of zircon: an ab initio molecular dynamics study",

American Mineralogist, Vol 88, Issue 11-12, Page 1769-1777.

Pickard, CJ; Mauri, F,

"Nonlocal pseudopotentials and magnetic fields",

Physical Review Letters, Vol 91, Issue 19, Article No. 196401.

Milman, V; Winkler, B; Pickard, CJ,

"Crystal structures of curium compounds: an ab initio study",

Journal of Nuclear Materials, Vol 322, Issue 2-3, Page 165-179.

Yates, JR; Pickard, CJ; Payne, MC; Mauri, F,

"Relativistic nuclear magnetic resonance chemical shifts of heavy nuclei with pseudopotentials and the zeroth-order regular approximation",

Journal of Chemical Physics, Vol 118, Issue 13, Page 5746-5753.

Profeta, M; Mauri, F; Pickard, CJ,

"Accurate first principles prediction of O-17 NMR parameters in SiO2: Assignment of the zeolite ferrierite spectrum",

Journal of the American Chemical Society, Vol 125, Issue 2, Page 541-548.