Magnetically Induced Current Densities in π-Conjugated Porphyrin Nanoballs.
Journal
The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903
Informations de publication
Date de publication:
03 Nov 2022
03 Nov 2022
Historique:
pubmed:
22
10
2022
medline:
22
10
2022
entrez:
21
10
2022
Statut:
ppublish
Résumé
Magnetically induced current densities (MICDs) of Zn-porphyrinoid nanostructures have been studied at the density functional theory level using the B3LYP functional and the def2-SVP basis set. Six of the studied Zn-porphyrinoid nanostructures consist of two crossing porphyrinoid belts, and one is a porphyrinoid nanoball belonging to the octahedral (
Identifiants
pubmed: 36270016
doi: 10.1021/acs.jpca.2c04856
pmc: PMC9639160
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
7864-7873Références
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