Principles and Applications of Density Functional Theory in Inorganic Chemistry I
Principles and Applications of Density Functional Theory in Inorganic Chemistry I By N. Kaltsoyannis, J.E. McGrady (auth.)
2004 | 194 Pages | ISBN: 3540218602 | PDF | 2 MB
2004 | 194 Pages | ISBN: 3540218602 | PDF | 2 MB
J. Autschbach: The Calculation of NMR Parameters in Transition Metal Complexes.- A. Rosa, G. Ricciardi, O. Gritsenko, E.J. Baerends: Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- G. Ujaque, F. Maseras: Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- J.N. Harvey: DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.