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Density functional potential-energy hypersurface and reactivity indices in the isomerization of X3H+ (X=O, S, Se, Te)Mineva, Tzonka; Russo, Nino; Sicilia, Emilia; Toscano, Marirosa · Journal of the Chemical Society, Faraday Transactions · 1997
Density functional investigation of the molecular geometries, harmonic vibrational frequencies, singlet-triplet energy separations, adiabatic ionization potentials, and electron affinities of XY2 (X = Si, Ge, Sn; Y = F, Cl) systemsEmilia Sicilia; Marirosa Toscano; Tzonka Mineva; Nino Russo · 1997