Computational prediction of small-molecule catalysts

K. N. Houk and Paul Ha-Yeon Cheong
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K. N. Houk: K. N. Houk and Paul Ha-Yeon Cheong are at the University of California, Los Angeles, 607 Charles E. Young Drive East, Los Angeles, California 90095, USA.
Paul Ha-Yeon Cheong: K. N. Houk and Paul Ha-Yeon Cheong are at the University of California, Los Angeles, 607 Charles E. Young Drive East, Los Angeles, California 90095, USA.

Nature, 2008, vol. 455, issue 7211, 309-313

Abstract: 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.

Date: 2008
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DOI: 10.1038/nature07368

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