Journal article
Computing organic stereoselectivity – from concepts to quantitative calculations and predictions
- Abstract:
- Advances in theory and processing power have established computation as a valuable interpretative and predictive tool in the discovery of new asymmetric catalysts. This tutorial review outlines the theory and practice of modeling stereoselective reactions. Recent examples illustrate how an understanding of the fundamental principles and the application of state-of-the-art computational methods may be used to gain mechanistic insight into organic and organometallic reactions. We highlight the emerging potential of this computational tool-box in providing meaningful predictions for the rational design of asymmetric catalysts. We present an accessible account of the field to encourage future synergy between computation and experiment.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
Actions
Access Document
- Files:
-
-
(Preview, Accepted manuscript, pdf, 6.1MB, Terms of use)
-
- Publisher copy:
- 10.1039/C6CS00573J
Authors
- Publisher:
- Royal Society of Chemistry
- Journal:
- Chemical Society Reviews More from this journal
- Volume:
- 45
- Pages:
- 6093-6107
- Publication date:
- 2016-09-12
- Acceptance date:
- 2016-09-06
- DOI:
- EISSN:
-
1460-4744
- ISSN:
-
1460-4744, 0306-0012
- Pubs id:
-
pubs:641593
- UUID:
-
uuid:9f1dd5d3-a5dc-4856-b7a6-f8090eb59702
- Local pid:
-
pubs:641593
- Source identifiers:
-
641593
- Deposit date:
-
2016-09-06
- ARK identifier:
Terms of use
- Copyright holder:
- Royal Society of Chemistry
- Copyright date:
- 2016
- Notes:
- This journal is © The Royal Society of Chemistry 2016. This is the accepted manuscript version of the article. The final version is available online from Royal Society of Chemistry at: https://doi.org/10.1039/C6CS00573J
If you are the owner of this record, you can report an update to it here: Report update to this record