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Theoretical value of the enthalpy of formation of methyl fluoride

✍ Scribed by J. Espinosa-García

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
324 KB
Volume
250
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

Theoretical values of the enthalpies of
Theoretical values of the enthalpies of formation of the NHx (x = 1,2,3) compounds. Importance of the core-correlation effects
✍ J. Espinosa-García; J.C. Corchado; J. Fernández; A. Marquez 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 485 KB

The enthalpies of formation of the NH x (x = 1, 2, 3) compounds were theoretically estimated using the isogyric and hydrogenation reactions as working chemical reactions. Energy differences were computed at seven levels of calculation, using MP4 (with spin projection and post-PMP4 corrections), QCI,