Ring currents and magnetic properties of
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P.W. Fowler; R. Zanasi; B. Cadioli; E. Steiner
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Article
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1996
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Elsevier Science
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English
โ 709 KB
A distributed-origin coupled Hartree-Fock method is used to compute the current density induced in the pyracylene (cyclopent[ fg] acenaphthylene) molecule by an extemal magnetic field, and hence to plot the ~r ring currents and obtain ab initio values of the total magnetisability, ~3C and ~H nuclear