Computational Organometallic Chemistry
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Computational Organometallic Chemistry

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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 pi-systems, oxidative functionalization of unactivated C-H bonds and olefins, the osmylation reaction, ...