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- W2080661634 abstract "An ab initio SCF calculation of 42 points of the energy hypersurface of the fluoronium ion is presented using a contracted F(5s/3p), H(2s) gaussian basis set. In its equilibrium structure a bond length of 1.812 a.u. and a HFH bond angle of 127.2° are predicted. The calculated vibrational frequencies for H2F+, HDF+, and D2F+ are in good agreement with the experimental data." @default.
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- W2080661634 date "1975-04-23" @default.
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- W2080661634 title "Ab initio SCF Calculation of the Fluoronium Ion: Geometry, electronic structure and vibrational constants" @default.
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- W2080661634 doi "https://doi.org/10.1002/hlca.19750580307" @default.
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