Ab initio molecular calculations carried out at the UQCISD (T ) /6-3 1 1 + + G ( 3df, 2p) and RCCSD (T ) /cc-pVTZ levels have been used to re-examine the heats of formation of the [C, Hs, N] +' radical cations and related species. The following values have been obtained: AH&s8 (H&NH) +' = 1046+ 10 k
β¦ LIBER β¦
Heats of formation of isomeric [C, H4, O]+, [C, H3, N]+ and [C, H5, N]+ radical cations
β Scribed by Michel Sana; Georges Leroy; Mustapha Hilali; Minh Tho Nguyen; L.G. Vanquickenborne
- Book ID
- 111708472
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 342 KB
- Volume
- 190
- Category
- Article
- ISSN
- 0009-2614
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