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- W2079251079 abstract "Ab initio SCF and IEPA PNO correlation energy calculations with large gaussian basis sets are reported for H3O+. The equilibrium geometry is pyramidal both from SCF and IEPA PNO calculations. The inversion barrier is increased considerably by the inclusion of electron correlation." @default.
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- W2079251079 title "The molecular structure of H3O+ by the ab initio SCF method and with inclusion of correlation energy" @default.
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