## Abstract The energetics of the stationary points of the gasโphase reactions CH~3~X+F^โ^โCH~3~F+X^โ^ (X=F, Cl, CN, OH, SH, NH~2~ and PH~2~) have been definitively computed using focal point analyses. These analyses entailed extrapolation to the oneโparticle limit for the HartreeโFock and MP2 ener
โฆ LIBER โฆ
Assessment of Density Functional Theory for Model S N 2 Reactions: CH 3 X + F - (X = F, Cl, CN, OH, SH, NH 2 , PH 2 )
โ Scribed by Gonzales, Jason M.; Cox, R. Sidney; Brown, Shawn T.; Allen, Wesley D.; Schaefer, Henry F.
- Book ID
- 127260877
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 268 KB
- Volume
- 105
- Category
- Article
- ISSN
- 1089-5639
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