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- W2004707776 abstract "The usefulness of certain molecular orbital theories in the prediction of molecular ionization energies is investigated. A simple Hückel treatment offers definite advantages over the more imposing CNDO method. The ab initio FSGO method of Frost is unreliable quantitatively." @default.
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- W2004707776 title "Simple quantitative molecular orbital methods used in connection with photoelectron spectroscopy" @default.
- W2004707776 doi "https://doi.org/10.1039/dc9725400026" @default.
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