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FeIm_H2O_PCM_2.inp2,54 kBDownload
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Title: /models_type1/species_1 doublet_tzvp
Authors: Mariusz, Radon
Jagiellonian University
Keywords: Porphyrinoids;Reaction mechanisms;Metalloenzymes;Tautomerism;Spin crossover
Issue Date: 30-Apr-2021
Publisher: Jagiellonian University
Description: LS [(P)Fe(ImH)(H2O)](+), B3LYP-D3/def2-TZVP optimized, PCM water
URI: https://www.iochem-bd.org//handle/10/227229
Appears in Collections:microperoxidase



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/227229

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