Principles and Applications of Density Functional Theory in Inorganic Chemistry II (eBook)

Agostic Interactions from a Computational Perspective: One Name, many Interpretations.- Computational Bioinorganic Chemistry.- Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods.- Computing the Properties of Materials from First Principles with SIESTA.- The Performance of Hybrid Density Functionals in Solid State Chemistry.- Author Index 101-113.