Spatial ring current model for the prismane molecule.

Spatial ring current model for the prismane molecule. Research Abstract Details 

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Spatial ring current model for the prismane molecule. Abstract Text:

Spatial models of magnetic-field induced electronic ring currents have been constructed for the prismane molecule via stagnation graphs and current density maps. These tools provide an insight into the complicated phenomenology resulting from competition of diatropic and paratropic regimes that determine the magnitude of various components of magnetic susceptibility and magnetic shielding of hydrogen and carbon nuclei. Shielding density maps show that the differential Biot-Savart law, along with an atlas of the current density field, explains magnetic shielding at hydrogen and carbon nuclei and virtual shielding at ring and cage centers.

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Spatial ring current model for the prismane molecule. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: The journal of physical chemistry. A

VOLUME: 112

Page Numbers: 5175-86

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ISSN: 1520-5215

DAY: 14

MONTH: 05

YEAR: 2008

Spatial ring current model for the prismane molecule. Information

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LANGUAGE: eng

NlmUniqueID: 9890903

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Grant and Affiliation Information for Spatial ring current model for the prismane molecule.

AFFILIATION: pelloni.stefano@unimo.it.

Country: United States

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MEDLINETA: J Phys Chem A

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