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Manuscript title: Experimental and Computational Insight into the Mechanism of NO Binding to Ferric Microperoxidase. The Likely Role of Tautomerization to Account for the pH Dependence
Journal: Inorg. Chem.
Metadata:
| Title: | /models_type2/ligands_diss/H2O_w2 H2O_w2_tzvp |
| Authors: | Mariusz, Radon |
| Keywords: | Porphyrinoids Reaction mechanisms Metalloenzymes Tautomerism Spin crossover |
| Issue Date: | 30-Apr-2021 |
| Publisher: | Jagiellonian University |
| Description: | H2O(H2O)2, B3LYP-D3/def2-TZVP optimized, PCM water |
| URI: | https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/272 |
| Appears in Collections: | microperoxidase - DOI: 10.19061/iochem-bd-7-6 |
Please use this identifier to cite or link to this item:
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/272
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