https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/231 microperoxidase 2026-05-12T03:44:48Z https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/352 Title: /models_type0/species_A_and_B doublet_tzvp Authors: Mariusz, Radon Description: LS [(P)Fe(NH3)](+), B3LYP-D3/def2-TZVP optimized with Cs symmetry, vacuum 2021-04-30T17:29:34Z https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/351 Title: /models_type0/species_A_and_B quartet_tzvp Authors: Mariusz, Radon Description: IS [(P)Fe(NH3)](+), B3LYP-D3/def2-TZVP optimized with Cs symmetry, vacuum 2021-04-30T17:29:33Z https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/350 Title: /models_type0/species_A_and_B sextet_tzvp Authors: Mariusz, Radon Description: HS [(P)Fe(NH3)](+), B3LYP-D3/def2-TZVP optimized with Cs symmetry, vacuum 2021-04-30T17:29:31Z https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/349 Title: /models_type0/species_1_and_2b doublet_tzvp Authors: Mariusz, Radon Description: LS [(P)Fe(NH3)(H2O)](+), B3LYP-D3/def2-TZVP optimized with Cs symmetry, vacuum 2021-04-30T17:29:30Z