Computational prediction of small-molecule catalysts

被引：283

作者：

Houk, K. N. ^{[1
]}

Cheong, Paul Ha-Yeon ^{[1
]}

机构：

[1] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA

来源：

NATURE | 2008年 / 455卷 / 7211期

关键词：

D O I：

10.1038/nature07368

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

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.

引用

页码：309 / 313

页数：5

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