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• W2054698946 abstract "Ab initio Hartee–Fock (HF) and multiconfiguration Hartee–Fock (MCHF) calculations have been carried out to characterize the reactants, transition state, and products of the electrophilic addition of O(3P) to the π bond of ethylene. The results show that the diradical product CH2CH2O is stable with respect to the reactants. The transition state has Cs symmetry, not C2v, with the oxygen atom localized on one of the two double‐bond C atoms." @default.
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• W2054698946 date "1982-01-01" @default.
• W2054698946 modified "2023-09-27" @default.
• W2054698946 title "Theoretical study of electrophilic addition: O(³<i>P</i>)+C₂H₄" @default.
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• W2054698946 doi "https://doi.org/10.1063/1.442748" @default.
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