Photochemical isomerization reactions of acrylonitrile. A mechanistic study

The mechanisms for the photochemical isomerization reactions are determined theoretically using the acrylonitrile model molecule. The CASSCF (twelve-electron/eleven-orbital active space) and MP2-CAS methods are respectively used with the 6-311G(d,p) and 6-311++G(3df,3pd) basis sets. The structure of...

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Detalles Bibliográficos
Autor principal: Su, Ming-Der
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078173/
https://www.ncbi.nlm.nih.gov/pubmed/35539595
http://dx.doi.org/10.1039/c7ra12614j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078173/
https://www.ncbi.nlm.nih.gov/pubmed/35539595
http://dx.doi.org/10.1039/c7ra12614j

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