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Density-functional theory-based chemical reactivity indices in the Hartree-Fock method. I. Unrestricted Hartree-Fock

Robert Balawender1, Paul Geerlings

  • 1Institute of Physical Chemistry of the Polish Academy of Sciences (PAS), Kasprzaka 44/52, PL-01-224 Warsaw, Poland. balawend@ichf.edu.pl

The Journal of Chemical Physics
|January 6, 2006
PubMed

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