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Spin-State Energetics of Fe(III) and Ru(III) Aqua Complexes: Accurate ab Initio Calculations and Evidence for Huge Solvation Effects.
J Chem Theory Comput. 2016 Apr 12;12(4):1592-605. doi: 10.1021/acs.jctc.5b01234. Epub 2016 Apr 4.
J Chem Theory Comput. 2016.
PMID: 26990105
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