title: Mechanism of direct oxidation of cyclohexene to cyclohexanone with nitrous oxide. Theoretical analysis by DFT method.
abstract: New very effective results on the liquid-phase oxidation of cyclohexene to cyclohexanone by nitrous oxide are analyzed using the B3LYP/6-31G* approximation to predict a two-step reaction mechanism correlated with the experimental data.
authors.affiliation: Boreskov Institute of Catalysis, Novosibirsk 630090, Russia. via@catalysis.nsk.su
authors.forename: Vasilii I
authors.initials: VI
authors.lastname: Avdeev
authors.forename: Sergey Ph
authors.initials: SP
authors.lastname: Ruzankin
authors.forename: Georgii M
authors.initials: GM
authors.lastname: Zhidomirov