Enthalpy/Entropy Contributions to Conformational KIEs: Theoretical Predictions and Comparison with Experiment

Previous theoretical studies of Mislow’s doubly-bridged biphenyl ketone 1 and dihydrodimethylphenanthrene 2 have determined significant entropic contributions to their normal (1) and inverse (2) conformational kinetic isotope effects (CKIEs). To broaden our investigation, we have used density functi...

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Detalles Bibliográficos
Autores principales: Fong, Aaron, Meyer, Matthew P., O’Leary, Daniel J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269852/
https://www.ncbi.nlm.nih.gov/pubmed/23429344
http://dx.doi.org/10.3390/molecules18022281

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269852/
https://www.ncbi.nlm.nih.gov/pubmed/23429344
http://dx.doi.org/10.3390/molecules18022281

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