title: All-electron ab initio investigation of the electronic states of the PdC molecule.
abstract: The electronic structure of transition metal containing molecules are extremely complicated and extensive calculations are required for reliable descriptions. In spite of this the results can often be interpreted in simple terms. The electronic structure of PdC is consistent with the molecular orbital diagram, as shown. Corrections for relativistic effects are shown to be extremely important for PdC.
authors.affiliation: Department of Applied Chemistry, The Technical University of Denmark, DTU 375, 2800 Lyngby, Denmark. Irene.Shim@ifak.dtu.dk
authors.forename: I
authors.initials: I
authors.lastname: Shim
authors.forename: K A
authors.initials: KA
authors.lastname: Gingerich