Literary Jacobitism by Pickard, C, Pickard, Claire

Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials by Yates, JR, Pickard, C, Mauri, F

Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state. by Joyce, SA, Yates, JR, Pickard, C, Brown, S

Relativistic nuclear magnetic resonance chemical shifts of heavy nuclei with pseudopotentials and the zeroth-order regular approximation by Yates, JR, Pickard, C, Payne, M, Mauri, F

OptaDOS: A tool for obtaining density of states, core-level and optical spectra from electronic structure codes by Morris, A, Nicholls, R, Pickard, C, Yates, JR

OptaDOS: A tool for obtaining density of states, core-level and optical spectra from electronic structure codes by Morris, A, Nicholls, R, Pickard, C, Yates, JR

A first principles theory of nuclear magnetic resonance J-coupling in solid-state systems. by Joyce, SA, Yates, JR, Pickard, C, Mauri, F

OptaDOS - a new tool for EELS calculations by Nicholls, R, Morris, A, Pickard, C, Yates, JR

Chemical shift computations on a crystallographic basis: some reflections and comments. by Harris, R, Hodgkinson, P, Pickard, C, Yates, JR, Zorin, V

The fuzzy quantum proton in the hydrogen chloride hydrates. by Hassanali, A, Cuny, J, Ceriotti, M, Pickard, C, Parrinello, M

Density functional theory in the solid state. by Hasnip, P, Refson, K, Probert, M, Yates, JR, Clark, S, Pickard, C

A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen. by Yates, JR, Dobbins, SE, Pickard, C, Mauri, F, Ghi, P, Harris, R

An investigation of weak CH...O hydrogen bonds in maltose anomers by a combination of calculation and experimental solid-state NMR spectroscopy. by Yates, JR, Pham, T, Pickard, C, Mauri, F, Amado, A, Gil, A, Brown, S

Theoretical investigation of bonding in diaspore by Winkler, B, Hytha, M, Pickard, C, Milman, V, Warren, M, Segall, M

Theoretical investigation of oxygen-17 NMR shielding and electric field gradients in glutamic acid polymorphs by Yates, JR, Pickard, C, Payne, M, Dupree, R, Profeta, M, Mauri, F

NMR crystallography of oxybuprocaine hydrochloride, Modification II degrees. by Harris, R, Cadars, S, Emsley, L, Yates, JR, Pickard, C, Jetti, R, Griesser, U

Oxygen K-edge electron energy loss spectra of hydrous and anhydrous compounds. by Winkler, B, Avalos-Borja, M, Milman, V, Perlov, A, Pickard, C, Yates, JR

Solid-state NMR and computational studies of 4-methyl-2-nitroacetanilide. by Harris, R, Ghi, P, Hammond, R, Ma, C, Roberts, K, Yates, JR, Pickard, C

Theoretical investigation of moganite by Hantsch, U, Winkler, B, Pickard, C, Gale, J, Warren, M, Milman, V, Mauri, F

Crystal structure of the zro phase at zirconium/zirconium oxide interfaces by Nicholls, R, Ni, N, Lozano-Perez, S, London, A, Mccomb, D, Nellist, P, Grovenor, C, Pickard, C, Yates, JR