Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions.

Reece, Christian; Luneau, Mathilde; Friend, Cynthia M; Madix, Robert J

Reece, Christian; Luneau, Mathilde; Friend, Cynthia M; Madix, Robert J.

Afiliación

Reece C; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, 02138, USA.
Luneau M; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, 02138, USA.
Friend CM; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, 02138, USA.
Madix RJ; School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, 02138, USA.

Angew Chem Int Ed Engl ; 59(27): 10864-10867, 2020 Jun 26.

Article en En | MEDLINE | ID: mdl-32259381

Palabras clave

DFT calculations; ab initio calculations; alcohols; heterogenous catalysis; reaction kinetics

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Angew Chem Int Ed Engl Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos

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