title: How well can new-generation density functionals describe the energetics of bond-dissociation reactions producing radicals?
abstract: The performance of various density functionals has been tested for three sets of reaction energies involving radicals. It is shown that two recently designed functionals, M05-2X and M06-2X, provide the best performance. These functionals provide useful and affordable methods for future mechanistic studies involving organic radicals.
authors.forename: Yan
authors.initials: Y
authors.lastname: Zhao
authors.forename: Donald G
authors.initials: DG
authors.lastname: Truhlar