Titlebook: Metal-Ligand Interactions; Structure and Reacti Nino Russo,Dennis R. Salahub Book 1996 Kluwer Academic Publishers 1996 ITIES.Ion.adsorption

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Density Functional Modeling of Ligand-Metal Interactions and Enzymatic Activities in Metalloenzymesendent metalloenzyme, carboxypeptidase A (CPA). A constrained optimization technique that can be considered a walking uphill process was used to locate transition states and to determine the complete reaction profile for peptide bond hydrolysis of a model substrate. In contrast to previous theoretic

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Guided-Ion Beam Studies of Ionic Transition Metal Clusters and Complexes,ods allow the chemistry of such species to be studied as a function of collision energy, thereby providing a wide range of thermochemical data. Binding energies for cationic clusters of two to about twenty transition metal atoms of titanium, vanadium, chromium, iron, cobalt, nickel, and niobium have

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Influence of Silyl Ligands on the Reactivity of Heterobimetallic Complexes: Insertion and Migrationexes containing a trialkoxysilyl or a siloxyl ligand could be prepared and their reactivity investigated. In the dppm complexes, a new bridging environment was encountered for the -Si(OMe). ligand which forms a strong σ-bond with Fe and a more labile, dative interaction with Pd or Pt through an oxyg

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Influence of Particle Size on Metallic and Bimetallic Supported Catalysts: Hydrogenolysis of Hydrocersed alloys of known composition. The determination of the properties of the pure metals as a function of particle size gives information on the influence of the coordination of surface atoms on catalytic properties. For the hydrogenolysis of 2,2,3,3-tetramethylbutane at high hydrogen pressure a go

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Quantum Mechanical AB Initio Investigation of Metal-Ligand Interactions in Transition-Metal Carbonyomplexes of group 6, 8 and 10 elements are discussed. The geometries are optimized at the MP2 level of theory using valence basis sets of DZ+P quality. The bond dissociation energies are predicted at the CCSD(T) level of theory. The theoritical data are generally in good agreement with experimental

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