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  1. Pubblicazioni

Spatial ring current model for the prismane molecule

Articolo
Data di Pubblicazione:
2008
Citazione:
Spatial ring current model for the prismane molecule / S., P., Lazzeretti, P.. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 112:23(2008), pp. 5175-5186. [10.1021/jp711996n]
Abstract:
Spatial models of magnetic-field induced electronic ring currents have been constructed for the prismanemolecule via stagnation graphs and current density maps. These tools provide an insight into thecomplicated phenomenology resulting from competition of diatropic and paratropic regimes that determinethe magnitude of various components of magnetic susceptibility and magnetic shielding of hydrogenand carbon nuclei. Shielding density maps show that the differential Biot-Savart law, along with anatlas of the current density field, explains magnetic shielding at hydrogen and carbon nuclei and virtualshielding at ring and cage centers.
Tipologia CRIS:
Articolo su rivista
Keywords:
ring current model; prismane
Elenco autori:
S., Pelloni; Lazzeretti, Paolo
Link alla scheda completa:
https://iris.unimore.it/handle/11380/421569
Pubblicato in:
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY
Journal
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