title: A TDDFT description of the low-energy excited states of copper and zinc metalloenediynes.
abstract: Time-dependent density functional theory shows that the photoreactivities of copper and zinc metalloenediynes derive from multi-configurational excited states involving the enediyne and pyridine pi systems.
authors.affiliation: Department of Chemistry, Indiana University, Bloomington, IN, USA.
authors.forename: Aurora E
authors.initials: AE
authors.lastname: Clark
authors.forename: Ernest R
authors.initials: ER
authors.lastname: Davidson
authors.forename: Jeffrey M
authors.initials: JM
authors.lastname: Zaleski
mesh_terms: D000480:Alkynes / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D011725:Pyridines / Q000737:chemistry*; D015032:Zinc / Q000737:chemistry*
chemical_list: D000480:Alkynes; D011725:Pyridines; D003300:Copper; D015032:Zinc; C023666:pyridine