739 citations · 834 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2007★ 95 cited
A First Principles Theory of Nuclear Magnetic Resonance J-Coupling in solid-state systems
Sian A. Joyce, Jonathan R. Yates, Chris J. Pickard +1
A method to calculate NMR J-coupling constants from first principles in extended systems is presented. It is based on density functional theory and is formulated within a planewave…
cond-mat.mtrl-sci2006★ 739 cited
High-pressure phases of silane
Chris J. Pickard, R. J. Needs
It has been suggested that hydrogen may metallise at lower pressures if it is ``precompressed''. Here we introduce a search strategy for predicting high-pressure structures and app…