most citedSimulation of NMR Fermi contact shifts for Lithium battery materials: the need of an efficient hybrid functional approach

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cond-mat.mtrl-sci2012★ 1 cited

Simulation of NMR Fermi contact shifts for Lithium battery materials: the need of an efficient hybrid functional approach

Yuesheng Zhang, Aurore Castets, Dany Carlier +2

In the context of the development of NMR Fermi contact shift calculations for assisting structural characterization of battery materials, we propose an accurate, efficient, and rob…