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This dataset derived results are published in:

Manuscript title: Benchmarking quantum chemistry methods for spin-state energetics of iron complexes against quantitative experimental data

Journal: PCCP

DOI: 10.1039/C9CP00105K

View as
    • ROOT
      • fe_acac2trien
      • fe_aq6
      • fe_en3
      • fe_tacn2
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