𝔖 Bobbio Scriptorium
✦   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

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


On the effect of electron correlation in
✍ I. Černušák; G.H.F. Diercksen; M. Urban 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 632 KB

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

Kinetic parameters for the reaction of h
✍ Veerabhadrarao Kaliginedi; Mohamad Akbar Ali; B. Rajakumar 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 580 KB

## Abstract Rate coefficients for the reaction of the hydroxyl radical with CH~3~OCH~2~F (HFE‐161) were computed using transition state theory coupled with ab initio methods, viz., MP2, G3MP2, and G3B3 theories in the temperature range of 200–400 K. Structures of the reactants and transition states