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Title: /models_type0/species_A_and_B sextet_tzvp
Authors: Mariusz, Radon
Jagiellonian University
Keywords: Porphyrinoids;Reaction mechanisms;Metalloenzymes;Tautomerism;Spin crossover
Issue Date: 30-Apr-2021
Publisher: Jagiellonian University
Description: HS [(P)Fe(NH3)](+), B3LYP-D3/def2-TZVP optimized with Cs symmetry, vacuum
URI: https://www.iochem-bd.org//handle/10/227236
Appears in Collections:microperoxidase



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/227236

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