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Spatial Ring Current Model of the [2.2]Paracyclophane Molecule

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https://figshare.com/articles/dataset/Spatial_Ring_Current_Model_of_the_2_2_Paracyclophane_Molecule/3010906
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A representation of the current density induced in the [2.2]paracyclophane molecule by a homogeneous magnetic field parallel to the line joining the centers of the phenylene rings is given in compact form by a stagnation graph that conveys essential information. Analogous graphs were obtained for two perpendicular directions. Plots of streamlines are also reported to complete a ring current model that has been proved useful to understand the magnetropicity of the system. Stagnation graphs, maps of streamlines and moduli of the current density, and plots of Biot−Savart magnetic shielding density provide a basic tool kit for rationalizing magnetic response of complex systems.
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2016-02-29
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