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Title: /models_type1/species_A quartet_tzvp
Authors: Mariusz, Radon
Jagiellonian University
Keywords: Porphyrinoids;Reaction mechanisms;Metalloenzymes;Tautomerism;Spin crossover
Issue Date: 30-Apr-2021
Publisher: Jagiellonian University
Description: IS [(P)Fe(ImH)](+), B3LYP-D3/def2-TZVP optimized, PCM water
Appears in Collections:microperoxidase

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