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Author

Jonathan Washburn

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Preprint Aug 2026

Molecular Transferability of a Noble-Gas Coordinate for Electronegativity Equalization

Charge-equilibration models predict how electrons redistribute over a molecule more cheaply than quantum chemistry, and each begins from a table of atomic electronegativities and hardnesses. A recent table replaces ionization energies and electron affinities with one geometric quantity: each main-group atom's fractiona...

M. Simons, Jonathan Washburn, E. Allahyarov · 0 citations

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