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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

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