Identifiant pérenne de la notice : 211033715
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Note publique d'information : 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
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