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Principles and Applications of Density Functional Theory in Inorganic Chemistry I (Structure and Bonding, Band 112) - Softcover

 
9783662145388: Principles and Applications of Density Functional Theory in Inorganic Chemistry I (Structure and Bonding, Band 112)

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.

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