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The heat of formation of C3H2+

โœ Scribed by D. Smith; N.G. Adams; E.E. Ferguson


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
318 KB
Volume
61
Category
Article
ISSN
0168-1176

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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