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Royal Society of Chemistry, Dalton Transactions, 43, p. 9398, 2009

DOI: 10.1039/b913558h

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EXAFS and DFT: evidence for the [Tc=O]2+ core.

Journal article published in 2009 by Eric Breynaert ORCID, Christine E. A. Kirschhock, André Maes
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This paper is available in a repository.

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Abstract

A structure elucidation strategy combining X-ray Absorption Spectroscopy (XAS) and Density Functional Theory (DFT) is demonstrated and reveals the existence of the [Tc=O](2+) moiety.