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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8190139/ https://www.ncbi.nlm.nih.gov/pubmed/34108500 http://dx.doi.org/10.1038/s41598-021-90640-6 |