Name: New Directions in the Modeling of Organometallic Reactions (en Inglés)
Price: 527920.00 CLP
Availability: InStock
Author: Lledós, Agustí ; Ujaque, Gregori
ISBN: 9783030569952

portada New Directions in the Modeling of Organometallic Reactions (en Inglés)

Formato

Libro Físico

Editorial

Springer

Autor

Lledós, Agustí ; Ujaque, Gregori

Idioma

Inglés

N° páginas

269

Encuadernación

Tapa Dura

Dimensiones

23.4 x 15.6 x 1.8 cm

Peso

0.57 kg.

ISBN13

9783030569952

Categorías

Química orgánica
Química física
Química industrial e ingeniería química

New Directions in the Modeling of Organometallic Reactions (en Inglés)

Lledós, Agustí ; Ujaque, Gregori (Autor) · Springer · Tapa Dura

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Reseña del libro "New Directions in the Modeling of Organometallic Reactions (en Inglés)"

This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on Density Functional Theory (DFT) have been fully incorporated into the toolbox of organometallic chemists' methods. Nowadays, energy profiles of multistep processes are routinely calculated, and detailed mechanistic pictures of the reactions arise from these calculations. This type of analysis is increasingly performed even by experimentalists themselves. The volume aims to connect established computational organometallics with the more recent theoretical and methodological developments applied to this field. This would allow broadening of the simulation scope toward emergent organometallic areas (as ligand design or photoactivated processes), to narrow the gap between calculations and experiments (microkinetic models) and even to discover new reactions (automated methods). Given the broad interest and extensiveapplication that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.