Computational prediction of small-molecule catalysts.
Computational prediction of small-molecule catalysts.
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DOI:
10.1038/nature07368
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发表时间:
2008-09-18
期刊:
影响因子:
64.8
通讯作者:
Cheong, Paul Ha-Yeon
中科院分区:
文献类型:
--
作者:
Houk, K. N.;Cheong, Paul Ha-Yeon
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.
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