Computation of NMR Shifts for Paramagnetic Solids Including Zero-Field-Splitting and Beyond-DFT Approaches. Application to LiMPO4 (M = Mn, Fe, Co, Ni) and MPO4 (M = Fe, Co)

Title
Computation of NMR Shifts for Paramagnetic Solids Including Zero-Field-Splitting and Beyond-DFT Approaches. Application to LiMPO4 (M = Mn, Fe, Co, Ni) and MPO4 (M = Fe, Co)
Authors
Keywords
-
Journal
Journal of Physical Chemistry C
Volume -, Issue -, Pages -
Publisher
American Chemical Society (ACS)
Online
2019-02-05
DOI
10.1021/acs.jpcc.8b09645

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