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- Title
Computational prediction of small-molecule catalysts.
- Authors
Houk, K. N.; Ha-Yeon Cheong, Paul
- Abstract
Most organic and organometallic catalysts have been discovered through serendipity or trial and error, rather than by rational design. Computational methods, however, are rapidly becoming a versatile tool for understanding and predicting the roles of such catalysts in asymmetric reactions. Such methods should now be regarded as a first line of attack in the design of catalysts.
- Subjects
CATALYSTS; CHEMICAL inhibitors; ENZYMES; METAL catalysts; RARE earth metal catalysts; CATALYSIS; CHEMICALS; CORROSION &; anti-corrosives; ANTIOXIDANTS
- Publication
Nature, 2008, Vol 455, Issue 7211, p309
- ISSN
0028-0836
- Publication type
Article
- DOI
10.1038/nature07368