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- W1991854881 abstract "Abstract An ab initio study of the RBS + cations (RH, F, Cl) in their 2 Π ground state and 2 σ + first excited state, and of the neutral compounds, has been caried out at Hartree—Fock level using the 6–31G** basis set. The geometries, vibrational frequencies and dipole moments of these species are computed and compared with the experimental values where these are available. Vertical and adiabatic ionization potentials are also computed and compared with photoelectron spectra results." @default.
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- W1991854881 date "1989-01-01" @default.
- W1991854881 modified "2023-09-27" @default.
- W1991854881 title "An ab initio study of the RBS+ cations (RH, F, Cl)" @default.
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- W1991854881 doi "https://doi.org/10.1016/0166-1280(89)80034-x" @default.
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