Computational Methods in Organometallic Catalysis
From Elementary Reactions to Mechanisms
1st Edition
Published on 24. March 2021
XVIII, 416 pages
978-3-527-34605-9 (ISBN)
Description
The book includes a survey of mechanisms, and an extensive introduction to quantum mechanical computational methods in organometallic catalysis.
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04/2021
Wiley-VCH
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04/2021
1st Edition
Wiley-VCH
€195.00
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Person
Yu Lan completed his Ph.D. in 2008 at Peking University under the supervision of Professor Yun-Dong Wu. From 2002 to 2012, he worked as a postdoctral fellow at the University of California, Los Angeles with Professor K. N. Houk. He then joined the faculty of Chongqing University. Since 2018, he moved to Zhengzhou University as a Professor. In 2016, he received the "Chinese Chemical Society Award for Outstanding Young Chemist". Professor Lan has been invited to introduce by "Author Profile" column in Angewandte Chemie. His current research interest focuses on theoretical study of the mechanism and selectivity for transition-metal-assisted cross-coupling reactions.
Content
PART 1. THEORETICAL VIEW OF ORGANOMETALLIC CATALYSIS
1. Introduction of Computational Organometallic Chemistry
2. Computational Methods in Organometallic Chemistry
3. Elementary Reactions in Organometallic Chemistry
PART 2. ON THE MECHANISM OF TRANSITION-METAL-ASSISTED REACTIONS
4. Theoretical Study of Ni-Catalysis
5. Theoretical Study of Pd-Catalysis
6. Theoretical Study of Pt-Catalysis
7. Theoretical Study of Co-Catalysis
8. Theoretical Study of Rh-Catalysis
9. Theoretical Study of Ir-Catalysis
10. Theoretical Study of Fe-Catalysis
11. Theoretical Study of Ru-Catalysis
12. Theoretical Study of Mn-Catalysis
13. Theoretical Study of Cu-Catalysis
14. Theoretical Study of Ag-Catalysis
15. Theoretical Study of Au-Catalysis
1. Introduction of Computational Organometallic Chemistry
2. Computational Methods in Organometallic Chemistry
3. Elementary Reactions in Organometallic Chemistry
PART 2. ON THE MECHANISM OF TRANSITION-METAL-ASSISTED REACTIONS
4. Theoretical Study of Ni-Catalysis
5. Theoretical Study of Pd-Catalysis
6. Theoretical Study of Pt-Catalysis
7. Theoretical Study of Co-Catalysis
8. Theoretical Study of Rh-Catalysis
9. Theoretical Study of Ir-Catalysis
10. Theoretical Study of Fe-Catalysis
11. Theoretical Study of Ru-Catalysis
12. Theoretical Study of Mn-Catalysis
13. Theoretical Study of Cu-Catalysis
14. Theoretical Study of Ag-Catalysis
15. Theoretical Study of Au-Catalysis
