Ab initio calculations have been carried out on diacetylene-HF complexes both at the SCF and second-order Moller-Plesset level using a 6-31 + + G(d, p) basis set to determine the structures and association energies of the various possible forms of the complexes. The non-symmetric ~r complex has been
β¦ LIBER β¦
Theoretical studies on the topographical features and energetics of diacetylene-hydrogen fluoride complexes
β Scribed by C. Medhi; D. Majumdar; S.P. Bhattacharyya
- Book ID
- 113257786
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 626 KB
- Volume
- 280
- Category
- Article
- ISSN
- 0166-1280
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