title: Can semiempirical quantum mechanics be used to predict the spin state of transition metal complexes? An application of de novo prediction.
authors.affiliation: Department of Chemistry, The University of Memphis, Computational Research on Materials Institute (CROMIUM), Memphis, Tennessee 38152, USA.
authors.forename: David M
authors.initials: DM
authors.lastname: Ball
authors.forename: Corneliu
authors.initials: C
authors.lastname: Buda
authors.forename: Aaron M
authors.initials: AM
authors.lastname: Gillespie
authors.forename: David P
authors.initials: DP
authors.lastname: White
authors.forename: Thomas R
authors.initials: TR
authors.lastname: Cundari