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)
Author:
Affiliation:
1. Institut für Chemie, Theoretische Chemie/Quantenchemie, Technische Universität Berlin, Sekr. C7, Strasse des 17. Juni 135, 10623 Berlin, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b09645
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1. A New Approach in 1D and 2D 13C High-Resolution Solid-State NMR Spectroscopy of Paramagnetic Organometallic Complexes by Very Fast Magic-Angle Spinning
2. Enhanced Sensitivity and Resolution in 1H Solid-State NMR Spectroscopy of Paramagnetic Complexes under Very Fast Magic Angle Spinning
3. Solid-State NMR of a Paramagnetic DIAD-FeII Catalyst: Sensitivity, Resolution Enhancement, and Structure-Based Assignments
4. Perspectives on paramagnetic NMR from a life sciences infrastructure
5. Paramagnetic Properties of a Crystalline Iron–Sulfur Protein by Magic-Angle Spinning NMR Spectroscopy
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