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▫$6^Li MAS NMR spectroscopy and first-principles calculations as a combined tool for the investigation of Li_2MnSiO_4 polymorphs$▫
Mali, Gregor, 1971-2023 ; Meden, Anton ; Dominko, Robert
Polymorphism of Li2MnSiO4 was inspected by 6Li MAS NMR spectroscopy. The detected isotropic shifts and spinning-sideband patterns were successfully reproduced by first-principles calculations and ...offered an insight into structural differences among the polymorphs. The approach for predicting isotropic shifts was also tested on several other Li-containing paramagnetic structures.
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