Molecular Understanding and Practical In Silico Catalyst Design in Computational Organocatalysis and Phase Transfer Catalysis—Challenges and Opportunities
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DOI: 10.3390/molecules28041715
Abstract: Through the lens of organocatalysis and phase transfer catalysis, we will examine the key components to calculate or predict catalysis-performance metrics, such as turnover frequency and measurement of stereoselectivity, via computational chemistry. The state-of-the-art tools… read more here.
Keywords: organocatalysis phase; catalysis; transfer catalysis; phase transfer ... See more keywords