Compartir
New Directions in the Modeling of Organometallic Reactions
Lledós, Agustí ; Ujaque, Gregori (Autor)
·
Springer
· Tapa Dura
New Directions in the Modeling of Organometallic Reactions - Lledós, Agustí ; Ujaque, Gregori
Sin Stock
Te enviaremos un correo cuando el libro vuelva a estar disponible
Reseña del libro "New Directions in the Modeling of Organometallic Reactions"
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.
- 0% (0)
- 0% (0)
- 0% (0)
- 0% (0)
- 0% (0)
Todos los libros de nuestro catálogo son Originales.
El libro está escrito en Inglés.
La encuadernación de esta edición es Tapa Dura.
✓ Producto agregado correctamente al carro, Ir a Pagar.