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Theoretical Study of ClOO + NO Reaction: Mechanism and Kinetics
Theoretical investigations are performed on mechanism and kinetics of the reaction of halogen peroxy radical ClOO with NO radical. The electronic structure information for both of the singlet and triplet potential energy surfaces (PESs) is obtained at the MP2/6-311 + G(2df) level of theory, and the...
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| Publicado no: | Molecules |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6149737/ https://ncbi.nlm.nih.gov/pubmed/29194394 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules22122121 |
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