Quantum-mechanical study of the resonances of the S(N)2 reaction Cl-+CH3Cl -> ClCH3+Cl-
The nucleophilic substitution reaction Cl- + CH3Cl → ClCH3 + Cl- has been studied quantum mechanically by means of stabilisation and scattering calculations. A reduced dimensionality Hamiltonian model has been employed in which the bonds that are broken and formed during reaction, ClC and CCl, are e...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1999
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