Computational Modeling of Homogeneous Catalysis

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Éditeur :

Kluwer Academic Publishers


Paru le : 2002

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Description

Traditionally, the application of computational chemistry to homogeneous catalysis had been limited because of the size and complexity of the molecules involved. However, recent progress in both computer power and theoretical methods have led to a new scenario where calculations can have a significant impact in both the understanding and the optimization of catalytic cycles. As a result, computational modelling is now an essential tool for the characterization and understanding of the reaction mechanisms at play in homogeneous catalysis.
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:
lefin 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.
Pages
n.c
Collection
n.c
Parution
2002
Marque
Kluwer Academic Publishers
EAN papier
0306477181
EAN PDF
0306477181

Informations sur l'ebook
Nombre pages copiables
1
Nombre pages imprimables
10
Taille du fichier
1445 Ko
Prix
149,44 €

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