Computational approaches to asymmetric synthesis

被引：94

作者：

Balcells, David

Maseras, Feliu

机构：

[1] Inst Chem Res Catalonia ICIQ, Tarragona 43007, Catalonia, Spain

[2] Univ Autonoma Barcelona, Unitat Quim Fis, Edifici Cn, Bellaterra 08193, Catalonia, Spain

来源：

NEW JOURNAL OF CHEMISTRY | 2007年 / 31卷 / 03期

关键词：

D O I：

10.1039/b615528f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Theoretical chemistry has been successfully used as a powerful tool to obtain valuable insight into the mechanism and the origin of enantioselectivity in several asymmetric reactions of high interest. In this Perspective article, the application of QM, MM and QM/MM methods to the rationalization of electronic and steric effects upon enantioselectivity is briefly reviewed, considering some representative contributions of the last three decades.

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收藏

页码：333 / 343

页数：11

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