Electronic structure of Schiff-base peroxo{2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idene)]bis-(6-meth-oxy-phenolato)}titanium(IV) monohydrate: a possible model structure of the reaction center for the theoretical study of hemoglobin.
DAFH
charge density
charge spin and momentum densities
crystal engineering
electronic structure
hemoglobin
homolytic and heterolytic O—O bond weakening
molecular crystals
peroxo bond activation
quantum crystallography
structure prediction
Journal
IUCrJ
ISSN: 2052-2525
Titre abrégé: IUCrJ
Pays: England
ID NLM: 101623101
Informations de publication
Date de publication:
01 Mar 2021
01 Mar 2021
Historique:
received:
07
08
2020
accepted:
02
01
2021
entrez:
12
3
2021
pubmed:
13
3
2021
medline:
13
3
2021
Statut:
epublish
Résumé
An extensive characterization of [Ti(C
Identifiants
pubmed: 33708405
doi: 10.1107/S205225252100004X
pii: S205225252100004X
pmc: PMC7924236
doi:
Types de publication
Journal Article
Langues
eng
Pagination
295-304Informations de copyright
© Kožíšková et al. 2021.
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