Tuesday, August 14, 2012

Simulation of NMR Fermi Contact Shifts for Lithium Battery Materials: The Need for an Efficient Hybrid Functional Approach

Yuesheng Zhang, Aurore Castets, Dany Carlier, Michel Ménétrier and Florent Boucher



TOC Graphic


The Journal of Physical Chemistry C

DOI: 10.1021/jp304762f






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