Comment on “Heats of Formation of Alkyl Fluorides”
✍ Scribed by Smith, Derek W.
- Book ID
- 126183010
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 23 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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📜 SIMILAR VOLUMES
Until the heat of formation of some fluorine compound from its dements was known, it was manifestly impossibl e to determine the heat of formation of the fluorides. On the other hand, as soon as the heat of formation of any fluorine compound had been determined, that of any other fluorine compound c
Different theoretical approaches in determining heats of formation (AHf) at the chemical accuracy level ( +\_ kcal/mol) are commented on. We show that calculations at the MP4SDTQ/6-311 + + G (3df, 2p) level of molecular orbital theory reproduce experimental results best. Accurate determination of AH