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- W2084549265 abstract "It is shown that the diamagnetic shielding of an atom in a molecule, the quantity, σMd(α)=(e2/3mc2)〈1/rα〉, is exactly given by the formula where the Rαβe are the equilibrium internuclear distances in the molecule, μ is the negative of the electronegativity of the molecule, and We is the energy of the molecule as a function of the atomic numbers Zα and the net molecular charge Q. Combined with previously given empirical formulas for We (Ref. 1), this formula is shown to provide an easy method to estimate σMd values for atoms in neutral molecules." @default.
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- W2084549265 title "Diamagnetic shieldings of atoms in molecules and their relation to electronegativity" @default.
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- W2084549265 doi "https://doi.org/10.1063/1.440247" @default.
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