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