Theoretical Investigations on Mechanisms and Pathways of C(2)H(5)O(2) with BrO Reaction in the Atmosphere

In this work, feasible mechanisms and pathways of the C(2)H(5)O(2) + BrO reaction in the atmosphere were investigated using quantum chemistry methods, i.e., QCISD(T)/6-311++G(2df,2p)//B3LYP/6-311++G(2df,2p) levels of theory. Our result indicates that the title reaction occurs on both the singlet and...

Descripción completa

Detalles Bibliográficos
Autores principales: Lu, Chenggang, Tang, Yizhen, Zhang, Wei, Qu, Xunshuai, Fu, Zhihao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6100565/
https://www.ncbi.nlm.nih.gov/pubmed/29799497
http://dx.doi.org/10.3390/molecules23061268

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6100565/
https://www.ncbi.nlm.nih.gov/pubmed/29799497
http://dx.doi.org/10.3390/molecules23061268

Ejemplares similares