MNDO study of the radical addition of hydrogen halides to ethylene and propene
✍ Scribed by M. Sodupe; E. Wünsch; J.M. Lluch; A. Oliva; J. Bertrán
- Book ID
- 113257126
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 520 KB
- Volume
- 205
- Category
- Article
- ISSN
- 0166-1280
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📜 SIMILAR VOLUMES
The addition of HCl and (HC1)2 to ethylene is theoretically studied by means of a b initio SCF techniques using the 3-21G basis set. A statistical thermodynamics analysis is also carried out. When a comparison is made with the HF and (HF)2 additions to ethylene, the general fact of the catalytic act
Addition of metbyl radicals to ethylene and acetylene has been studwd by nb mitio molecular-orbital calculauons In agreemen! with expcrimenlal dam, we find that, although addition IO ethylene is charactenred by a lower activation energy. addition LO acetylene is faster due to the opposile and larger