Browse Collection: microperoxidase
microperoxidase
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/231
2026-05-12T03:44:48Z
2026-05-12T03:44:48Z
/models_type0/species_A_and_B doublet_tzvp
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/352
2021-04-30T16:07:56Z
2021-04-30T17:29:34Z
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
/models_type0/species_A_and_B quartet_tzvp
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/351
2021-04-30T16:07:55Z
2021-04-30T17:29:33Z
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
/models_type0/species_A_and_B sextet_tzvp
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/350
2021-04-30T16:07:56Z
2021-04-30T17:29:31Z
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
/models_type0/species_1_and_2b doublet_tzvp
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/349
2021-04-30T16:07:55Z
2021-04-30T17:29:30Z
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