Note: Intro -- Organometallic Bonding and Reactivity -- Volume Editors -- Editorial Board -- Preface -- Contents -- Gas-Phase Organometallic Chemistry -- Introduction -- Experimental Methods -- Atomic Metal and Metal Complex Ion Sources -- Electron Ionization -- Laser Vaporization and Glow Discharge -- Surface Ionization -- Multiphoton Ionization -- High-Pressure Sources -- Mass Spectrometric Methods -- ICR Mass Spectrometry -- Ion Beam Mass Spectrometry -- Thermochemistry of Metal-Carbon Bonds -- Methods of Analysis -- Reactions -- Data Analysis -- Covalent Metal-Carbon Bonds -- Cations -- Bis-Ligated Cations -- Neutrals -- Dative Metal-Carbon Bonds -- Ethene -- Benzene -- Alkanes -- Mechanisms for Alkane Activation -- Methane -- Early First Row Transition Metal Ions -- Late First Row Transition Metal Ions -- Second and Third Row Transition Metal Ions -- Ethane -- Propane -- Late First Row Transition Metal Ions -- Early First and Second Row Transition Metal Ions -- Effect of Ancillary Ligands -- Effect of an Oxo Ligand -- Reaction of CoO+ with Methane -- Reaction of FeO+ with Methane -- Reaction of Other Transition Metal Oxide Cations with Methane -- Conclusions -- References -- Static and Dynamic Structures of Organometallic Molecules and Crystals -- Introduction -- Static and Dynamic Structures of Organometallic Molecules in the Solid State -- Single Crystal X-ray Diffraction: Some Limitations -- Dynamical Processes at Molecular Level -- The Timescale in Diffraction Experiments -- Atomic Displacements -- Empirical Estimate of Reorientational Barriers -- Organometallic Crystal Isomerization, Phase Transitions and Polymorphism -- Crystal Polymorphism -- Crystals Formed by Structural Isomers -- Pseudo-Polymorphism of Electronic Isomers -- Pseudo-Polymorphism Arising from Disorder -- Crystal Transformations and Dynamics. , Perspectives of an Organometallic Solid State and Materials Chemistry -- References -- Theoretical Treatment of Organometallic Reaction Mechanisms and Catalysis -- Introduction -- Methods -- Qualitative Molecular Orbital Theory -- Nonempirical Methods -- Standard Ab Initio Methods -- Density Functional Theory Methods -- QM/MM Methods -- QM/MD Methods -- Selected Examples -- Olefin Polymerization Using Metallocene-Based Transition-Metal Catalysts -- Olefin Polymerization Using Late Transition-Metal Complexes as Catalysts -- Olefin Hydroformylation and the Wacker Process: Influence of the Solvent Effects -- Conclusion and Perspectives -- References -- A Critical Assessment of Density Functional Theory with Regard to Applications in Organometallic Chemistry -- Introduction -- Significant Problems and the Historical Role of Density Functional Theory -- Perspectives and Priorities -- Basics of Density Functional Theory - A Descriptive Presentation -- Density Functional Theory of Closed-Shell Systems: Non-Spin-Polarized Theory -- Density Functionals and Model Wave Functions -- The Kohn-Sham Procedure -- Effective Potentials -- Kohn-Sham Eigenvalues -- Extension to Open-Shell Systems -- Spin Density Functional Theory -- Spatial Symmetry Aspects -- Physical Constraints on Functionals from Properties of Electron Holes -- Exchange and Correlation Holes -- Functionals -- Approximate Functionals -- Local and Gradient-Corrected Approximate Functionals -- Hybrid Approximate Functionals -- Selected Applications -- Calibration and Validation -- Organometallics - Broad View -- Organometallics - Case Study of Transition-Metal-Catalyzed Oxygen Transfer Reactions -- Olefin Dihydroxylation with OsO4/H2O2 -- Olefin Epoxidation with CH3ReO3/H2O2 -- Acknowlgements -- References -- Hybrid Quantum Mechanics/Molecular Mechanics Methods in Transition Metal Chemistry. , Introduction -- Hybrid QM/MM Methods -- General Overview -- One-Step QM/MM Methods: Combined MO+MM Method -- Multistep QM/MM Methods: The IMOMM Method -- Checklist of Technical Features -- Applications -- Structural Studies -- Olefin Polymerization Via Homogeneous Catalysis -- Asymmetric Dihydroxylation of Olefins -- Agostic Complexes -- Bioinorganic Complexes -- Conclusions and Future Perspectives -- Acknowledgement -- References -- Author index Volumes 1-4.

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