title: High-accuracy theoretical study on the thermochemistry of several formaldehyde derivatives.
abstract: In the case of several formaldehyde derivatives, with importance in atmospheric and combustion chemistry, the currently available thermochemical values suffer from considerably large uncertainties. In this study a high-accuracy theoretical model chemistry has been used to provide accurate thermochemical data including heats of formation at 0 and 298 K and standard molar entropies at 298 K for CF(2)O, FCO, HFCO, HClCO, FClCO, HOCO, and NH(2)CO. For most of the thermochemical quantities studied here, this investigation delivers the best available estimate.
authors.affiliation: Department of Applied and Environmental Chemistry, University of Szeged, Rerrich B. tér 1., H-6720 Szeged, Hungary. n.balazs@chem.u-szeged.hu
authors.forename: Balázs
authors.initials: B
authors.lastname: Nagy
authors.forename: József
authors.initials: J
authors.lastname: Csontos
authors.forename: Mihály
authors.initials: M
authors.lastname: Kállay
authors.forename: Gyula
authors.initials: G
authors.lastname: Tasi