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1. NMR-guided refinement of crystal structures using ¹⁵ N chemical shift tensors

   https://doi.org/10.1039/d4ce00237g  

   Toomey, Ryan; Wang, Luther; Heider, Emily C; Hartman, Joshua D; Nichols, Alexander J; Myles, Dean_A A; Gardberg, Anna S; McIntyre, Garry J; Zeller, Matthias; Mehta, Manish A; et al (June 2024, CrystEngComm)

   An NMR-guided procedure for refining crystal structures has recently been introduced and shown to produce unusually high resolution structures. 

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2. ³¹ P NMR Chemical Shift Tensors: Windows into Ruthenium Phosphinidene Complex Electronic Structures

   https://doi.org/10.1021/acs.inorgchem.1c01099  

   Transue, Wesley J.; Dai, Yizhe; Riu, Martin-Louis Y.; Wu, Gang; Cummins, Christopher C. (July 2021, Inorganic Chemistry)

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3. Calculation of chemical-shift tensors of heavy nuclei: a DFT/ZORA investigation of ¹⁹⁹ Hg chemical-shift tensors in solids, and the effects of cluster size and electronic-state approximations

   https://doi.org/10.1039/c4cp01682c  

   Alkan, Fahri; Dybowski, C. (January 2014, Phys. Chem. Chem. Phys.)
4. Modeling Small Structural and Environmental Differences in Solids with ¹⁵ N NMR Chemical Shift Tensors

   https://doi.org/10.1002/cphc.202000985  

   Wang, Luther; Elliott, Alexander_B; Moore, Sean_D; Beran, Gregory_J_O; Hartman, Joshua_D; Harper, James_K (April 2021, ChemPhysChem)

   Abstract The ability to theoretically predict accurate NMR chemical shifts in solids is increasingly important due to the role such shifts play in selecting among proposed model structures. Herein, two theoretical methods are evaluated for their ability to assign¹⁵N shifts from guanosine dihydrate to one of the two independent molecules present in the lattice. The NMR data consist of¹⁵N shift tensors from 10 resonances. Analysis using periodic boundary or fragment methods consider a benchmark dataset to estimate errors and predict uncertainties of 5.6 and 6.2 ppm, respectively. Despite this high accuracy, only one of the five sites were confidently assigned to a specific molecule of the asymmetric unit. This limitation is not due to negligible differences in experimental data, as most sites exhibit differences of >6.0 ppm between pairs of resonances representing a given position. Instead, the theoretical methods are insufficiently accurate to make assignments at most positions. 

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5. Nuclear Magnetic Resonance Spectra and ²⁰⁷Pb Chemical-Shift Tensors of Lead Carboxylates Relevant to Soap Formation in Oil Paintings

   https://doi.org/10.1366/13-07209  

   Catalano, Jaclyn; Yao, Yao; Murphy, Anna; Zumbulyadis, Nicholas; Centeno, Silvia A.; Dybowski, Cecil (March 2014, Applied Spectroscopy)