New Directions in the Modeling of Organometallic Reactions is popular PDF and ePub book, written by Agustí Lledós in 2020-11-05, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, New Directions in the Modeling of Organometallic Reactions can be Read Online from any device for your convenience.
New Directions in the Modeling of Organometallic Reactions Book PDF Summary
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 extensive application that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.
Detail Book of New Directions in the Modeling of Organometallic Reactions PDF
- Author : Agustí Lledós
- Release : 05 November 2020
- Publisher : Springer Nature
- ISBN : 9783030569969
- Genre : Science
- Total Page : 276 pages
- Language : English
- PDF File Size : 14,9 Mb
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