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Theoretical Analysis on the Kinetic Isotope Effects of Bimolecular Nucleophilic Substitution (S(N)2) Reactions and Their Temperature Dependence

Factors affecting the kinetic isotope effects (KIEs) of the gas-phase S(N)2 reactions and their temperature dependence have been analyzed using the ion-molecule collision theory and the transition state theory (TST). The quantum-mechanical tunneling effects were also considered using the canonical v...

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Detalles Bibliográficos
Autores principales:	Tsai, Wan-Chen, Hu, Wei-Ping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2013
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270110/ https://www.ncbi.nlm.nih.gov/pubmed/23612475 http://dx.doi.org/10.3390/molecules18044816

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