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Updated: Nov 25, 2025

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex

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Fragmentation of natural orbital occupation numbers-based diagnostic of differential multireference character in

Martin Šulka1,2, Matúš Dubecký1,2

  • 1Advanced Technologies Research Institute, Faculty of Materials Science and Technology in Trnava, Slovak University of Technology in Bratislava, Trnava, Slovakia.

Journal of Computational Chemistry
|December 15, 2020
PubMed

Keywords:
coupled clusterelectron correlationmultireference characternoncovalent interactions

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