Ab ioitio SCF MO ulculahons have been performed,for the reactants, products and reaction complex in the title rewtion. The infiuence of diffke and polarization basis functions in determining the presence of a reaction barrier was investigated. No barrier to the fonvard or reverse reactions was found
โฆ LIBER โฆ
Theoretical study of SN2 reactions. Ab initio computations on HF and CI level
โ Scribed by Keil, Frerich; Ahlrichs, Reinhart
- Book ID
- 121367233
- Publisher
- American Chemical Society
- Year
- 1976
- Tongue
- English
- Weight
- 821 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
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