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Effect of ammonia and water molecule on OH + CH(3)OH reaction under tropospheric condition
The rate coefficients for OH + CH(3)OH and OH + CH(3)OH (+ X) (X = NH(3), H(2)O) reactions were calculated using microcanonical, and canonical variational transition state theory (CVT) between 200 and 400 K based on potential energy surface constructed using CCSD(T)//M06-2X/6-311++G(3df,3pd). The re...
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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8190139/ https://ncbi.nlm.nih.gov/pubmed/34108500 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-90640-6 |
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