Theoretical study of bonding energy in the H+2He system
β Scribed by Z. Ya. Tsirul; N. P. Poshyunaite; A. B. Bolotin
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1971
- Tongue
- English
- Weight
- 219 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0022-4766
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We present a theoretical study of the convergence of the C-H bond dissociation energy (Do) of acetylene with respect to both the one-and n-particle spaces. Our best estimate for Do of 130.1 f 1.0 kcal/mol is slightly below previous theoretical estimates, but substantially above the value determined
## Abstract The accurate determination of Οβbond energies, __D__~Ο~, in doublyβbonded species has been an important issue in theoretical chemistry. The procedure using the divalent state stabilization energy defined by Walsh has been suggested, and the procedure seems to be conceptually reasonable