Computational Modelling of Homogeneous Catalysis is an extensive
collection of recent results on a wide array of catalytic
processes. The chapters are, in most cases, authored by the
researchers who have performed the calculations. The book
illustrates the importance of computational modelling in
homogeneous catalysis by providing up-to-date reviews of its
application to a variety of reactions of industrial interest,
including:
-olefin polymerization;
-hydrogenation;
-alkene/alkyne isomerization;
-hydroformylation;
-hydroboration; hydrosylation;
-dihydroxylation;
-benzannulation;
-epoxidation;
-N-N triple bond activation.
This book facilitates understanding by experimental chemists in
the field on what has already been accomplished and what can be
expected from calculations in the near future. In addition, the
book provides computational chemists with a first-hand knowledge on
the state of the art in this exciting field.
General
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