ioChem-BD Browse module - Item page
Item metadata and files
Referenced by:
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_type3/species_2a quartet_sv-p |
Authors: | Mariusz, Radon |
Keywords: | Porphyrinoids Reaction mechanisms Metalloenzymes Tautomerism Spin crossover |
Issue Date: | 30-Apr-2021 |
Publisher: | Jagiellonian University |
Description: | IS [(MP)Fe(ImH)(OH)](2-)_w2_w2_w4, B3LYP-D3/def2-SV(P) optimized, PCM water |
URI: | https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/236 |
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/100/236