Titlebook: Organometallic Bonding and Reactivity; Fundamental Studies John M. Brown,Peter Hofmann Book 1999 Springer-Verlag Berlin Heidelberg 1999 Met

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Hybrid Quantum Mechanics/Molecular Mechanics Methods in Transition Metal Chemistry,n the quantitative introduction of steric effects. Its capabilities for the analysis of results, both in the quantitative separation of electronic and steric effects and in the identification of the atoms involved in steric effects, are emphasized.

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Book 1999antum chemistry with force field of semiempirical MO treatments, quantum dynamic studies and the computational modelling of solvent effects extend the utility of the basic methods. This volume in the series Topics in Organometallic Chemistry presents a survey by renowned experts of important experim

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Theoretical Treatment of Organometallic Reaction Mechanisms and Catalysis,homogeneous catalysis, with particular emphasis on olefin polymerization processes. These are chosen to illustrate the importance of the choice of the model; the various techniques that are used to characterize the transition state; the influence of electron correlation to account for weak interacti

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A Critical Assessment of Density Functional Theory with Regard to Applications in Organometallic Chred to the rate of development in the case of small-to medium-sized organic molecules, was caused largely by the wide variety of valence electronic structures which come into play for transition metal organometallics. Such diversity of hybridization candidates is a challenge to commonly used Density

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1436-6002 or heterogeneous catalysis. The ever expanding scope of highly specific stoichiometric and catalytic transformations or organic substrates involving metals requires a thorough physical and theoretical understanding of fundamental principles of organometallic structure and reactivity. Diffraction ex