Nucleophilic Substitution in Solution: Activation Strain Analysis of Weak and Strong Solvent Effects

We have quantum chemically studied the effect of various polar and apolar solvents on the shape of the potential energy surface (PES) of a diverse collection of archetypal nucleophilic substitution reactions at carbon, silicon, phosphorus, and arsenic by using density functional theory at the OLYP/T...

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Detalles Bibliográficos
Autores principales: Hamlin, Trevor A., van Beek, Bas, Wolters, Lando P., Bickelhaupt, F. Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947303/
https://www.ncbi.nlm.nih.gov/pubmed/29457865
http://dx.doi.org/10.1002/chem.201706075

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947303/
https://www.ncbi.nlm.nih.gov/pubmed/29457865
http://dx.doi.org/10.1002/chem.201706075

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