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  • BENZOSEMIQUINONE RADICAL, V.Chiş, +6 authors O.Cozar
  • 2009
Semiempirical, Ab Initio and hybrid density functional calculations are used to calculate geometries, spin densities and isotropic hyperfine coupling constants for the meta-benzosemiquinone anion radical. Three optimum structures, with C2v( B1), C2v( A2), and Cs( A") symmetries have been located by geometry optimization, the former being 5.17Kcal/mol higher(More)
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