Abstract
Calculations of the potential energy surfaces of X-OH 2 + cations (X = C, O) by the restricted and unrestricted Hartree-Fock methods (RHF, UHF) taking into account the correlation energy (MP-2) and by the CASSCF method are presented. All cations are found to be rather stable against X-O bond rupture and intermolecular rearrangement. The reaction of electron capture by these cations is studied.
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