title: Palladium(0) alkyne complexes as active species: a DFT investigation.
abstract: Alkynes have been found to be excellent ligands for Pd(0); the stability of a range of alkyne-Pd(0) complexes, and their reactivity in oxidative addition, have been investigated by DFT methods.
authors.affiliation: Technical University of Denmark, Kemitorvet Building 201, DK-2800 Lyngby, Denmark.
authors.forename: Mårten
authors.initials: M
authors.lastname: Ahlquist
authors.forename: Giancarlo
authors.initials: G
authors.lastname: Fabrizi
authors.forename: Sandro
authors.initials: S
authors.lastname: Cacchi
authors.forename: Per-Ola
authors.initials: PO
authors.lastname: Norrby