The transition state conformational effect on the activation energy of ethyl acetate neutral hydrolysis

We report a first-principles study on ethyl acetate neutral hydrolysis in which we focus on the activation energy variation resulting from the conformational effect in the transition state. We use the conformers of ethyl formate, ethyl acetate, ethyl fluoroacetate, and ethyl chloroacetate as the est...

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Detalles Bibliográficos
Autores principales: Rusydi, Febdian, Aisyah, Nufida D., Fadilla, Rizka N., Dipojono, Hermawan K., Ahmad, Faozan, Mudasir, Puspitasari, Ira, Rusydi, Andrivo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6742842/
https://www.ncbi.nlm.nih.gov/pubmed/31528745
http://dx.doi.org/10.1016/j.heliyon.2019.e02409

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6742842/
https://www.ncbi.nlm.nih.gov/pubmed/31528745
http://dx.doi.org/10.1016/j.heliyon.2019.e02409

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