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- W1971131837 abstract "Abstract Electric dipole polarisability has been proposed as an alternative to magnetic criteria of aromaticity. The ipsocentric formulation of the molecular response to a magnetic field gives selection rules for diatropic ring current that coincide with those for in-plane polarisability. Thus, induced π current strength might correlate, if at all, with HOMO contributions to the in-plane components of polarisability of diatropic systems. No equivalent correlation is expected a priori for anti-aromatic paratropic systems, or clamped systems in which diatropic current is quenched by interaction with π systems. Ab initio calculations of π current density maps and dipole polarisability contributions confirm the expected correlation for monocycles, but show the limitations of polarisability as a measure of aromaticity." @default.
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- W1971131837 date "2004-01-01" @default.
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- W1971131837 title "Aromaticity, polarisability and ring current" @default.
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- W1971131837 doi "https://doi.org/10.1016/j.cplett.2003.11.081" @default.
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