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Chemistry - Organic Chemistry | Computational Organometallic Chemistry

Computational Organometallic Chemistry

Wiest, Olaf, Wu, Yundong (Eds.)

2012, VIII, 256 p.

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  • A snapshot of a large field which has expanded dramatically in recent years
  • Experts from Europe, Asia and the US write about their specialist area of computational organometallic chemistry
  • Inspiration for novel experimental studies
  •  
  • Experts from Europe, Asia and the US write about their specialist area of computational organometallic chemistry
  • Inspiration for novel experimental studies
  •  
  • Inspiration for novel experimental studies
  •  

Computational methods have become an indispensible tool for elucidating the mechanism of organometallic reactions. This snapshot of state-of-the-art computational studies provides an overview of the vast field of computational organometallic chemistry. Authors from Asia, Europe and the US have been selected to contribute a chapter on their specialist areas. Topics addressed include: DFT studies on zirconium-mediated reactions, force field methods in organometallic chemistry, hydrogenation of π-systems, oxidative functionalization of unactivated C-H bonds and olefins, the osmylation reaction, and cobalt carbonyl clusters. The breadth and depth of the contributions demonstrate not only the crucial role that computational methods play in the study of a wide range of organometallic reactions, but also attest the robust health of the field, which continues to benefit from, as well as inspire novel experimental studies.

Content Level » Research

Keywords » Catalytica catalyst - Cobalt Carbonyl Clusters - Hydrogen activation - LFMM - Metal-Catalyzed Hydrogenations - Osmium Catalyzed Olefin Oxidation - Pt-containing metal-carbene cations - SIBFA - VALBOND TRANS - hydroformylation

Related subjects » Chemistry - Organic Chemistry - Theoretical and Computational Chemistry

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