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20092026
most citedMolecular-based coordination polymer as reversible and precise acetonitrile electro-optical readout

39 citations · 85 across the 9 of their papers we have counts for

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cond-mat.str-el2021★ 8 cited

Improved Spin-State Energy Differences of Fe(II) molecular and crystalline complexes via the Hubbard U-corrected Density

Lorenzo A. Mariano, Bess Vlaisavljevich, Roberta Poloni

We recently showed that the DFT+U approach with a linear-response U yields adiabatic energy differences biased towards high spin [Mariano et al. J. Chem. Theory Comput. 2020, 16, 6…