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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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| Publicado no: | Molecules |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6269852/ https://ncbi.nlm.nih.gov/pubmed/23429344 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules18022281 |
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