Overview
- Overview of the expanding computational treatment of organometallic systems toward new directions in this field
- Describes the potentiality of recent theoretical and methodological computational developments applied to organometallics
- Presents possibilities in the application of computational methods to organometallic systems
Part of the book series: Topics in Organometallic Chemistry (TOPORGAN, volume 67)
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Table of contents (9 chapters)
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Front Matter
Keywords
About this book
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.
Editors and Affiliations
About the editors
Dr. Gregori Ujaque was born in Torres de Segre (Lleida, Catalonia) in 1971. He obtained his Ph.D. in Chemistry from the Universitat Autònoma de Barcelona (UAB) in 1999 on the field of computational homogeneous catalysis under supervision of Profs. A. Lledós and F. Maseras. He then spent a couple of years at the University of California, Los Angeles (UCLA) with Prof. K.N. Houk working on rational design of catalytic antibodies and organic reactivity using computational chemistry. He returned to UAB contracted by the “Ramon y Cajal” program, obtaining a permanent position in 2007. His main interests are the application ofcomputational methods to the understanding of catalysis, using QM and QM/MM methods and more recently AIMD and QM/MM-MD methods. He enjoys working in several topics as C-C or C-N cross-coupling, hydrogenation, hydroamination, or any type of addition reactions, etc. Several metal catalysts have been objective of his studies, with gold occupying a prominent position; he is also focusing on first row transition metals and main group elements. His interests have recently broadened to modeling Supramolecular Catalysis. He served as associated editor of “Anales de Química” (2018-2020), the journal of the Spanish Chemical Society. Nowadays he is the President of the Catalan Chemical Society (SCQ).
Bibliographic Information
Book Title: New Directions in the Modeling of Organometallic Reactions
Editors: Agustí Lledós, Gregori Ujaque
Series Title: Topics in Organometallic Chemistry
DOI: https://doi.org/10.1007/978-3-030-56996-9
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Switzerland AG 2020
Hardcover ISBN: 978-3-030-56995-2Published: 06 November 2020
Softcover ISBN: 978-3-030-56998-3Published: 07 November 2021
eBook ISBN: 978-3-030-56996-9Published: 05 November 2020
Series ISSN: 1436-6002
Series E-ISSN: 1616-8534
Edition Number: 1
Number of Pages: IX, 269
Number of Illustrations: 1 b/w illustrations
Topics: Organometallic Chemistry, Theoretical and Computational Chemistry, Catalysis