A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry.
Neese
Frank
F
Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany. neese@thch.uni-bonn.de
D015393:Chemistry, Bioinorganic; D006860:Hydrogen Bonding; D008280:Magnetics; D008958:Models, Molecular; D008962:Models, Theoretical