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Quantum Mechanical Approach to Leucine + OH Gas Phase Reaction. Mechanism and Kinetics
The gas phase OH hydrogen abstraction reaction fromleucine has been studied using Density Functional Theory (B3LYP)calculations and the 6-311G(d,p) basis set. The structures of the differentstationary points are discussed. Reaction profiles are modeledincluding the formation of pre-reactive complexe...
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| Publicat a: | Journal of the Mexican Chemical Society |
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| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Sociedad Química de México
2004
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| Matèries: | |
| Accés en línia: | https://www.redalyc.org/articulo.oa?id=47548206 |
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