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Title: /models_type1/species_1 sextet_sv-p
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(ImH)(H2O)](+), B3LYP-D3/def2-SV(P) optimized, PCM water
Appears in Collections:microperoxidase

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