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Updated: Sep 19, 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

Published on: July 27, 2022

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通过相对论DFT预测SABRE活性Ir复合体中的化物的NMR化学转移

Beatrice Bernadette Mascitti1, Giordano Zanoni1, Federico de Biasi2

  • 1Dipartimento di Scienze Chimiche, Università degli Studi di Padova via Marzolo, 1 - 35131, Padova, Italy. federico.rastrelli@unipd.it.

Physical chemistry chemical physics : PCCP
|June 18, 2025
PubMed
概括

通过可逆交换 (SABRE) 的信号放大增强了使用复合物的NMR灵敏度. 密度函数理论 (DFT) 通过相对论的纠正准确地预测复杂的结构,并有助于理解水合体共振.

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