Browsing by Author "Jørgensen, Solvejg"

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  • A computational study of the oxidation of SO₂ to SO₃ by gas-phase organic oxidants

    Kurten, Theo; Lane, Joseph R.; Jørgensen, Solvejg; Kjaergaard, Henrik G. (American Chemical Society, 2011)
    We have studied the oxidation of SO₂ to SO₃ by four peroxyradicals and two carbonyl oxides (Criegee intermediates) using both density functional theory, B3LYP, and explicitly correlated coupled cluster theory, CCSD(T)-F12. ...

Solvejg Jørgensen has 3 co-authors in Research Commons.