Computational Modeling of Homogeneous Catalysis
Feliu Maseras · Agustí Lledós
avr. 2006 · Catalysis by Metal Complexes Livre 25 · Springer Science & Business Media
E-book
368
Pages
reportLes notes et avis ne sont pas vérifiés. En savoir plus
À propos de cet e-book
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: 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.
Donner une note à cet e-book
Dites-nous ce que vous en pensez.
Informations sur la lecture
Smartphones et tablettes
Installez l'application Google Play Livres pour Android et iPad ou iPhone. Elle se synchronise automatiquement avec votre compte et vous permet de lire des livres en ligne ou hors connexion, où que vous soyez.
Ordinateurs portables et de bureau
Vous pouvez écouter les livres audio achetés sur Google Play à l'aide du navigateur Web de votre ordinateur.
Liseuses et autres appareils
Pour lire sur des appareils e-Ink, comme les liseuses Kobo, vous devez télécharger un fichier et le transférer sur l'appareil en question. Suivez les instructions détaillées du Centre d'aide pour transférer les fichiers sur les liseuses compatibles.
