Computational (DFT) and Experimental (EXAFS) Study of the Interaction of [Ir(IMes)(H)(2)(L)(3)] with Substrates and Co-substrates Relevant for SABRE in Dilute Systems

Bram J. A. van Weerdenburg, Anthonius H. J. Engwerda, Nan Eshuis, Alessandro Longo, Dipanjan Banerjee, Marco Tessari, Celia Fonseca Guerra, Floris P. J. T. Rutjes, F. Matthias Bickelhaupt, Martin C. Feiters

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Biochemistry, Genetics and Molecular Biology