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- W2020604811 abstract "Self‐consistent‐field wavefunctions near the Hartree‐Fock limit have been computed for the 3Σ states of NF and PF, and for the 2Π states of SiF and SF. Based on a Dunham analysis of the computed total energies, results have been derived for the equilibrium bond lengths and spectroscopic constants. Values of 830 ± 20, 4.7, and 0.0042 cm−1 are predicted for the hitherto undetermined ωe, ωexe, and αe of SF. Computed ionization potentials are in excellent agreement with experiment. Electron affinities of −0.1, 1.1, 1.1, and 1.7 eV are predicted for NF, SiF, PF, and SF, respectively. The dissociation enthalpy D0° of PF is estimated to be 4.65 ± 0.2 eV, and values of 0.25, 0.5, and 0.6 D are suggested for the dipole moments of NF, SiF, and PF, respectively. Dissociation enthalpies of the positive and negative ions have also been calculated. A previously calculated re(OF) has been revised to 1.34 Å." @default.
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- W2020604811 title "Properties of the monofluorides of nitrogen, silicon, phosphorus, and sulfur from a molecular orbital study" @default.
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- W2020604811 doi "https://doi.org/10.1063/1.1680559" @default.
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