Browsing by Author "Jorgensen, Solvejg"

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Nitrate radical addition–elimination reactions of atmospherically relevant sulfur-containing moleculesw

Kurten, Theo; Lane, Joseph R.; Jorgensen, Solvejg; Kjaergaard, Henrik G. (The Royal Society of Chemistry, 2010)

We have used different computational methods, including B3LYP, CCSD(T)-F12 and CBS-QB3, to study and compare the addition–elimination reaction of the nitrate radical NO₃ with four sulfur-containing species relevant to ...