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Nucleophilic Substitution at Phosphorus Centers (SN2@P)

✍ Scribed by Marc A. van Bochove; Marcel Swart; F. Matthias Bickelhaupt

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
339 KB
Volume
8
Category
Article
ISSN
1439-4235

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Ab initio and DFT benchmark study for nu
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✍ A. PatrΓ­cia Bento; Miquel SolΓ ; F. Matthias Bickelhaupt πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 106 KB

## Abstract To obtain a set of consistent benchmark potential energy surfaces (PES) for the two archetypal nucleophilic substitution reactions of the chloride anion at carbon in chloromethane (S~N~2@C) and at silicon in chlorosilane (S~N~2@Si), we have explored these PESes using a hierarchical seri