title: Ab initio VCD calculation of a transition-metal containing molecule and a new intensity enhancement mechanism for VCD.
authors.affiliation: Department of Chemistry, Syracuse University, Syracuse, New York 13244-4100, USA.
authors.forename: Y
authors.initials: Y
authors.lastname: He
authors.forename: X
authors.initials: X
authors.lastname: Cao
authors.forename: L A
authors.initials: LA
authors.lastname: Nafie
authors.forename: T B
authors.initials: TB
authors.lastname: Freedman
mesh_terms: D002942:Circular Dichroism; D003035:Cobalt / Q000737:chemistry; D008667:Metalloproteins / Q000737:chemistry; D008968:Molecular Conformation; D009532:Nickel / Q000737:chemistry; D009942:Organometallic Compounds / Q000737:chemistry*; D013034:Sparteine / Q000031:analogs & derivatives* / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D014732:Vibration; D015032:Zinc / Q000737:chemistry*
chemical_list: D008667:Metalloproteins; D009942:Organometallic Compounds; D013034:Sparteine; D003035:Cobalt; D009532:Nickel; D015032:Zinc