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dc.contributor.authorPapadopoulos A.G.
dc.contributor.authorCharistos N.D.
dc.contributor.authorMuñoz-Castro A.
dc.date.accessioned2020-09-02T22:25:19Z
dc.date.available2020-09-02T22:25:19Z
dc.date.issued2017
dc.identifier10.1002/cphc.201700279
dc.identifier.citation18, 12, 1499-1502
dc.identifier.issn14394235
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5739
dc.descriptionThe induced shielding cone is one of the most characteristic aspects of aromatic species. Herein, we explore its behavior under different orientations of the applied magnetic field by evaluating the overall and dissected π- and σ-electron contributions. Our results shed light onto the orientation dependence behavior of the shielding cone, unraveling a characteristic pattern upon rotation of the aromatic ring. This pattern decreases the long range of the magnetic response, such that it resembles the behavior under constant molecular tumbling in solution. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.subjectbenzene
dc.subjectdensity functional theory calculations
dc.subjectmagnetic properties
dc.subjectshielding cone
dc.subjectπ-electrons
dc.titleMagnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field
dc.typeArticle


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