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The Addition of Hydrogen Atoms to Diacetylene and the Heats of Formation of i -C 4 H 3 and n -C 4 H 3

✍ Scribed by Klippenstein, Stephen J.; Miller, James A.

Book ID
127007922
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
288 KB
Volume
109
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

Concerning the heats of formation of the
Concerning the heats of formation of the [C, H3, N]+ radical cations
✍ Minh Tho Nguyen; Johan Rademakers; Jan M.L. Martin πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 600 KB

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