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Transition State Force Field for the Asymmetric Redox Relay Heck Reaction
A transition state force field (TSFF) was developed using the quantum-guided molecular mechanics (Q2MM) method to describe the stereodetermining migratory insertion step of the enantioselective redox-relay Heck reaction for a range of multisubstituted alkenes. We show that the TSFF is highly predict...
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| Publicado no: | J Am Chem Soc |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7304536/ https://ncbi.nlm.nih.gov/pubmed/32249569 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.0c01979 |
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