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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Clean and Modified Oxide Surfaces: Structure and Dynamics of Absorbed Molecules,cific aspects include:.Methods applied include electron spectroscopies for electronic structure studies as well as vibrational excitations, infrared spectroscopy, thermal desorption and related methods.

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Book 1996ields of study themselves, the papers also bringout those aspects that impinge on, or could benefit from, progress inother disciplines. Refined in the fire of an interactive andstimulating conference, the papers presented here represent the stateof the art of current research.

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Book 1996 and computationalapproaches needed to establish the concepts and guide the experiments..Leading experts present masterly surveys of: clusters, inorganiccomplexes, surfaces, catalysis, .ab initio. theory, densityfunctional theory,semiempirical methods, and dynamics. Besides thepresentations of the f

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Density Functional Modeling of Ligand-Metal Interactions and Enzymatic Activities in Metalloenzymesd results and the available experimental data suggest that DFT calculations that include non-local corrections are practical for describing large biological systems where hydrogen-bonding and proton transfer are important.

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Progress Towards a Molecular Surface Science: Dative Interactions in Chemistry at Metal Centres as omplexes; and, some preliminary measurements of the dynamics of photo- and thermal desorption of ligands from cluster-ligand complexes. The importance of studies at temperatures close to ambient is emphasized.

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Metal-Ligand Interactions in Gas Phase and in Solution. The Density Functional Point of View,rimental data for a large number of significant chemical parameters and properties. The systems examined are cis- and trans-PtCl.(NH.).), Ni(PH.).HPPH and Ni(PH.).C0. complexes. For all the systems, in addition to the in vacuo calculations the effects of the solvent have been taken into account.