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


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.

DOI: 10.1039/b913558h

Cite this paper

@article{Breynaert2009EXAFSAD, title={EXAFS and DFT: evidence for the [Tc=O]2+ core.}, author={Eric Breynaert and Christine E. A. Kirschhock and Andr{\'e} Maes}, journal={Dalton transactions}, year={2009}, volume={43}, pages={9398-401} }