Siân A. Joyce

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

Robin K. Harris, Siân A. Joyce, Chris J. Pickard et al. · Physical Chemistry Chemical Physics · 2005 · 152 citations · Full text

Natural Sciences, Biochemistry, Chemistry +17

A first principles theory of nuclear magnetic resonance J-coupling in solid-state systems

Siân A. Joyce, Jonathan R. Yates, Chris J. Pickard et al. · The Journal of Chemical Physics · 2007 · 95 citations · Full text

Natural Sciences, Chemistry, Physics +14

Probing Heteronuclear ¹⁵N−¹⁷O and ¹³C−¹⁷O Connectivities and Proximities by Solid-State NMR Spectroscopy

Ivan Hung, Anne‐Christine Uldry, Johanna Becker‐Baldus et al. · Journal of the American Chemical Society · 2009 · 79 citations

Natural Sciences, Biochemistry, Chemistry +12

Density Functional Theory Calculations of Hydrogen-Bond-Mediated NMR <i>J</i> Coupling in the Solid State

Siân A. Joyce, Jonathan R. Yates, Chris J. Pickard et al. · Journal of the American Chemical Society · 2008 · 68 citations

Natural Sciences, Chemistry, Physics +11

New perspectives in the PAW/GIPAW approach: JP-O-Si coupling constants, antisymmetric parts of shift tensors and NQR predictions

Christian Bonhomme, Christel Gervais, Cristina Coelho et al. · Magnetic Resonance in Chemistry · 2010 · 46 citations

Natural Sciences, Chemistry, Physics +16