Nik Kaltsoyannis / John E. McGrady (eds.)

Principles and Applications of Density Functional Theory in Inorganic Chemistry I

Herausgegeben:Kaltsoyanis, Nik; McGrady, John E.

• Gebundenes Buch

Produktbeschreibung

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.

Produktdetails

• Structure and Bonding 112
• Verlag: Springer / Springer Berlin Heidelberg / Springer, Berlin
• Artikelnr. des Verlages: 10934388, 978-3-540-21860-9
• 2004
• Seitenzahl: 208
• Erscheinungstermin: 14. September 2004
• Englisch
• Abmessung: 241mm x 160mm x 16mm
• Gewicht: 420g
• ISBN-13: 9783540218609
• ISBN-10: 3540218602
• Artikelnr.: 14816798

Autorenporträt

Nik Kaltsoyannis, University College London, UK / John E. McGrady, University of York, UK

Inhaltsangabe

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.