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- W2077148727 abstract "LCAO Xα calculations of the ionization energies of the molecules C 2 H 4 , H 2 O 2 , CO 2 and HF are reported. The agreement with photoelectron data is shown to be excellent and in several cases superior to that obtained from ab initio Hartree-l'ock calculations using the Δ E (SCF) procedure." @default.
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- W2077148727 date "1977-05-01" @default.
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- W2077148727 title "LCAO Xα calculation of the ionization energies of small molecules" @default.
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- W2077148727 doi "https://doi.org/10.1016/0009-2614(77)85023-9" @default.
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