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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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Detalles Bibliográficos
Autores principales:	Ali, Mohamad Akbar, Balaganesh, M., Al-Odail, Faisal A., Lin, K. C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
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

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