Principles and Applications of Density Functional Theory in Inorganic Chemistry I (Structure and Bonding .112) (Softcover reprint of the original 1st ed. 2004. 2013. x, 194 S. 7 SW-A)

§04§The Calculation of NMR Parameters in Transition Metal Complexes.- Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.