Increase in Strain Energy during Conversion of [4.4.4.5]Fenestrane to [4.4.4.4]Fenestrane: a Method for Estimating the Heats of Formation of Hydrocarbons and Their Derivatives from Ab Initio Energies
Our interest in fenestranes led us to wonder how large the change in strain energy with changes in the ring size might be. This led us to consider if satisfactory estimates of heat of formation could be easily derived from ab initio calculated energies. We started by examining 21 hydrocarbons having...
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| Veröffentlicht in: | Journal of organic chemistry 2020-04, Vol.85 (7), p.4981-4987 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
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