Selectivity in organocatalysis—From qualitative to quantitative predictive models

Recent advances in both experimental and computational techniques pose an exciting time for chemistry. Computational tools traditionally used to interpret experimental trends have now evolved into predictive models able to guide the design of novel catalysts. This review discusses the evolution of t...

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Bibliographic Details
Main Authors:	Duarte, F. (Author), Ford, J. (Author), Sterling, A.J (Author), Zavitsanou, S. (Author)
Format:	Article
Language:	English
Published:	John Wiley and Sons Inc 2021
Subjects:	Artificial intelligence Catalysis Computation theory Computational chemistry Computational technique Computational tools Density functional theory Electronic structure Electronic structure theory machine learning Machine learning models organocatalysis physical organic chemistry Physical organic chemistry Predictive analytics predictive models Predictive models Quantitative predictive models Rate constants reaction mechanism Reaction mechanism
Online Access:	View Fulltext in Publisher

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View Fulltext in Publisher

Selectivity in organocatalysis—From qualitative to quantitative predictive models

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