Calculation of Enthalpies of Formation of Secondary and Tertiary Aliphatic Carbenium Ions by Molecular Mechanics
Steric energies (Est) of carbenium ions, calculated by MM2, may be converted into enthalpies of formation (ΔHf) by means of group increments. Increments of 204.7 kcal/mol for secondary and 187.4 kcal/mol for tertiary aliphatic carbenium ions, based on experimental ΔHf values of 2-propyl (191.8 kcal...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | deu |
| Published: |
Swiss Chemical Society
1985-08-01
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| Series: | CHIMIA |
| Online Access: | https://www.chimia.ch/chimia/article/view/9677 |
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