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Determining relative f and d orbital contributions to M-Cl covalency in MCl6(2-) (M = Ti, Zr, Hf, U) and UOCl5(-) using Cl K-edge X-ray absorption spectroscopy and time-dependent density functional theory.
Minasian SG, Keith JM, Batista ER, Boland KS, Clark DL, Conradson SD, Kozimor SA, Martin RL, Schwarz DE, Shuh DK, Wagner GL, Wilkerson MP, Wolfsberg LE, Yang P. Minasian SG, et al. J Am Chem Soc. 2012 Mar 28;134(12):5586-97. doi: 10.1021/ja2105015. Epub 2012 Mar 9. J Am Chem Soc. 2012. PMID: 22404133
65 results