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Computational prediction of small-molecule catalysts

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 meth...

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Autores principales: Houk, K. N., Ha-Yeon Cheong, Paul
Formato: Artigo
Lenguaje:Inglês
Publicado: 2008
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2717898/
https://ncbi.nlm.nih.gov/pubmed/18800129
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nature07368
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