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Updated: Dec 31, 2025

Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
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Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?

Martí Gimferrer1, Gerard Comas-Vilà1, Pedro Salvador1

  • 1Departament de Química and Institut de Química Computacional i Catàlisi, Universitat de Girona, Maria Aurèlia Capmany 69, 17003 Girona, Spain.

Molecules (Basel, Switzerland)
|January 16, 2020
PubMed

Keywords:
localized orbitalsmetal carbenesoxidation stateswavefunction analysis

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