https://www.selleckchem.com/pr....oducts/durvalumab.ht
Thermochemical data for 20 anionic, cationic, and neutral gas-phase species, including Fe0/+, FeO-/0/+/2+, FeOH0/+/2+, FeO2-/0/+, OFeOH0/+, Fe(OH)20/+, Fe(H2O)+/2+, and Fe(H2O)2+/2+ with oxidation states between +I and +IV for Fe and -I and -II for O, compiled by Schröder [ J. Phys. Chem. A 2008, 112, 13215], are used to assess the performance of the "Jacob's ladder" functionals PBE, TPSS, PBE0, and TPSSh for the SVP, TZVP, and QZVP basis sets. In addition, the BP86 and B3LYP functionals are considered. The TPSSh functional performs
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