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Nature 455, 309-313 (18 September 2008) | doi:10.1038/nature07368; Published online 17 September 2008
Computational prediction of small-molecule catalysts
K. N. Houk1 & Paul Ha-Yeon Cheong1
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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.
- K. N. Houk and Paul Ha-Yeon Cheong are at the University of California, Los Angeles, Department of Chemistry and Biochemistry, 607 Charles E. Young Drive East, Los Angeles, California 90095, USA.
