Principles and Applications of Density Functional Theory in Inorganic Chemistry I

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.

List of contents

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.

Product details

• Assisted by: E McGrady (Editor), E McGrady (Editor), Ni Kaltsoyanis (Editor), Nik Kaltsoyanis (Editor), N. Kaltsoyannis (Editor), Nik Kaltsoyannis (Editor), J. E. McGrady (Editor), John E. McGrady (Editor)
• Publisher: Springer, Berlin
• Languages: English
• Product format: Hardback
• Released: 03.08.2005
• EAN: 9783540218609
• ISBN: 978-3-540-21860-9
• No. of pages: 194
• Weight: 420 g
• Illustrations: X, 194 p.
• Series: Structure and Bonding; Structure and Bonding
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Inorganic chemistry; Physikalische Chemie, C, Chemistry and Materials Science, Physical Chemistry, Quantum & theoretical chemistry, Theoretical and Computational Chemistry, Chemistry, Physical and theoretical, Theoretical Chemistry, Inorganic Chemistry