The effect of electron correlation on the energy profile of an SR2 gas-phase reaction is studied within Brauman's double-well model. Correlation ~n~~utions to the well depth, intrinsic and overall bar&Is and the heat of reaction are ~lc~~d using complete fourth-order MBPT. It is shown that electron
✦ LIBER ✦
Anab initioinvestigation into the SN2 reaction: Frontside attack versus backside attack in the reaction of F−with CH3F
✍ Scribed by H. Bernhard Schlegel; Kurt Mislow; Fernando Bernardi; Andrea Bottoni
- Publisher
- Springer
- Year
- 1977
- Tongue
- English
- Weight
- 565 KB
- Volume
- 44
- Category
- Article
- ISSN
- 1432-2234
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