title: Mechanism of the catalytic oxidation of hydrocarbons by N-hydroxyphthalimide: a theoretical study.
abstract: The mechanism of the recently proposed catalytic oxidation of hydrocarbons by oxygen in the presence of N-hydroxyphthalimide (NHPI) was established by quantum chemical calculations, consistent with experiments.
authors.affiliation: Centre for Surface Science and Catalysis, Department of Interphase Chemistry, Kasteelpark Arenberg 23, B-3001 Heverlee, Belgium. ive.hermans@chem.kuleuven.ac.be
authors.forename: Ive
authors.initials: I
authors.lastname: Hermans
authors.forename: Luc
authors.initials: L
authors.lastname: Vereecken
authors.forename: Pierre A
authors.initials: PA
authors.lastname: Jacobs
authors.forename: Jozef
authors.initials: J
authors.lastname: Peeters