Principles and Applications of Density Functional Theory in Inorganic Chemistry I

• Corporate Author: SpringerLink (Online service)
• Other Authors: Kaltsoyanis, Nik (Editor, http://id.loc.gov/vocabulary/relators/edt), McGrady, John E. (Editor, http://id.loc.gov/vocabulary/relators/edt)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2004.
• Edition: 1st ed. 2004.
• Series: Structure and Bonding, 112
• Subjects: Inorganic chemistry.; Chemistry, Physical and theoretical.; Physical chemistry.; Inorganic Chemistry.; Theoretical and Computational Chemistry.; Physical Chemistry.

Table 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.