Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction : a six-dimensional study
The dynamics of the hydrogen abstraction reaction between methane and hydroxyl radical is investigated using an initial state selected time-dependent wave packet method within a six-dimensional model. The ab initio calibrated global potential energy surface of Espinosa-García and Corchado was used....
| Hoofdauteurs: | , , , , , |
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| Andere auteurs: | |
| Formaat: | Journal Article |
| Taal: | English |
| Gepubliceerd in: |
2014
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| Onderwerpen: | |
| Online toegang: | https://hdl.handle.net/10356/104127 http://hdl.handle.net/10220/19414 |