HIGHLIGHTS
- who: Pedro J. Silva from the FP-I ID, Universidade Fernando Pessoa, have published the research work: The Reaction Mechanism of the Cu(I) Catalyzed Alkylation of Heterosubstituted Alkynes, in the Journal: Catalysts 2023, 17 of /2023/
- how: In this work density-functional theory is used to investigate the mechanism used and to describe a model that correctly explains both the reaction rates at sub-zero temperatures and the regiochemistry profiles obtained with each of the heteroalkynes. In this article DFT methods were used to andso describe reaction of carbocupration of methoxy- ied with theoreticalanalyze . . .
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