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Barbara Czarniecki on Muck Rack

Barbara Czarniecki

As seen in: Wiley Online Library, ACS Publications
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Articles

Higher Contrast in 1H‐Observed NMR Ligand Screening with the PEARLScreen Experiment

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By Nils Lorz, Barbara Czarniecki, Benno Meier, Sandra Loss
| Wiley Online Library Verified
Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Filename Description anie202423879-s1-Supporting_Information.pdf613.6 KB Supplementary
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A Quantum Chemistry View on Two Archetypical Paramagnetic Pentacoordinate Nickel(II) Complexes Offers a Fresh Look on Their NMR Spectra

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By Enrico Ravera, Lucia Gigli, Lucas Lang, Barbara Czarniecki
| ACS Publications
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 high-spin pentacoordinate nickel(II) complexes (NiSAL-MeDPT and NiSAL-HDPT), which, for a variety of reasons, turned out to be perfectly suited to challenge the predictions to the finest level of detail.
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