title: A theoretical study of the gas-phase chemi-ionization reaction between uranium and oxygen atoms.
abstract: The U+O chemi-ionization reaction has been investigated by quantum chemical methods. Potential-energy curves have been calculated for several electronic states of UO and UO(+). Comparison with the available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemi-ionization reaction U+O-->UO(+)+e(-) is proposed. The U+O and Sm+O chemi-ionization reactions are the first two metal-plus-oxidant chemi-ionization reactions to be studied theoretically in this way.
authors.affiliation: Department of Applied Chemistry, School of Engineering, The University of Tokyo, Tokyo 113-8656, Japan.
authors.forename: Jozef
authors.initials: J
authors.lastname: Paulovic
authors.forename: Laura
authors.initials: L
authors.lastname: Gagliardi
authors.forename: John M
authors.initials: JM
authors.lastname: Dyke
authors.forename: Kimihiko
authors.initials: K
authors.lastname: Hirao