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• W2003358242 startingPage "359" @default.
• W2003358242 abstract "Electron affinities of AHn molecules (A = Li to Cl) are estimated by ab initio molecular orbital theory, using isogyric comparisons with the hydrogen molecule. Results agree with experimental data to within 0.1 eV for first-row and most second-row compounds. Electron affinities are predicted for BH, BH2, AlH and AlH2. BH2− is predicted to have a singlet 1A1 ground state with the 3B1 state lying 0.16 eV higher in energy; the corresponding singlet-triplet difference for AlH2− is predicted to be larger, 0.73 eV. Theoretical proton affinities (PA)0 for the AHn− anions are derived from the same data set." @default.
• W2003358242 created "2016-06-24" @default.
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• W2003358242 date "1988-04-01" @default.
• W2003358242 modified "2023-10-15" @default.
• W2003358242 title "Accurate theoretical estimates of the electron affinities of AHn molecules by isogyric comparisons. Proton affinities of AHn− anions" @default.
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• W2003358242 doi "https://doi.org/10.1016/0009-2614(88)80190-8" @default.
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