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A Quantum Chemistry View on Two Archetypical Paramagnetic Pentacoordinate Nickel(II) Complexes Offers a Fresh Look on Their NMR Spectra
[Image: see text] Quantum chemical methods for calculating paramagnetic NMR observables are becoming increasingly accessible and are being included in the inorganic chemistry practice. Here, we test the performance of these methods in the prediction of proton hyperfine shifts of two archetypical hig...
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| Publicado no: | Inorg Chem |
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| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2021
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7877564/ https://ncbi.nlm.nih.gov/pubmed/33478214 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.inorgchem.0c03635 |
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