Dynamics of the F− + CH3Cl → Cl− + CH3F SN2 reaction on a chemically accurate potential energy surface
Though bimolecular nucleophilic substitution (S N 2) reactions play a fundamental role in chemistry, chemically accurate full-dimensional global analytical potential energy surfaces (PESs) have not been developed for these systems. These PESs govern the motion of the atoms in a chemical reaction; th...
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| Veröffentlicht in: | Chemical science (Cambridge) 2013-10, Vol.4 (12), p.4362-437 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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