A-value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods
A-value is conventionally defined as the ring flip Gibbs energy of chair conformers in monosubstituted cyclohexanes. It is well accepted in organic chemistry as one of the proxies of steric hindrance of a substituent group with respect to hydrogen. In this paper, the ring flip energy of mono– and di...
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2023
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| 在線閱讀: | https://repository.li.mahidol.ac.th/handle/123456789/83881 |
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