Journal article
Quantum-mechanical study of the resonances of the S(N)2 reaction Cl-+CH3Cl -> ClCH3+Cl-
- Abstract:
-
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 explicitly treated. The reaction is driven by many narrow scattering resonances, which are analysed by means of the stabilisation method. It is found that part of the quasibound states are assignabl...
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- Publication status:
- Published
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Bibliographic Details
- Journal:
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Volume:
- 1
- Issue:
- 6
- Pages:
- 1197-1203
- Publication date:
- 1999-03-15
- DOI:
- EISSN:
-
1463-9084
- ISSN:
-
1463-9076
Item Description
- Language:
- English
- Pubs id:
-
pubs:52789
- UUID:
-
uuid:1a1d54de-4721-44e4-b868-2f0ba89f1743
- Local pid:
- pubs:52789
- Source identifiers:
-
52789
- Deposit date:
- 2013-11-17
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- Copyright date:
- 1999
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