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Investigation of Solvent Effects on the Rate and Stereoselectivity of the Henry Reaction

[Image: see text] A combined computational and experimental kinetic study on the Henry reaction is reported. The effects of salvation on the transition structures and the rates of reaction between nitromethane and formaldehyde, and between nitropropane and benzaldehyde are elucidated with QM/MM calc...

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Autors principals: Kostal, Jakub, Voutchkova, Adelina M., Jorgensen, William L.
Format: Artigo
Idioma:Inglês
Publicat: 2011
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3258499/
https://ncbi.nlm.nih.gov/pubmed/22168236
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ol2030394
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