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Theoretical Study of the Formation of Complexes Between CO2 and Nitrogen Heterocycles

A density functional theory study was performed to analyze the formation of complexes between CO2 and different nitrogen heterocycles such as imidazole, 2-methylimidazole, benzimidazole, and pyrazine. Two orientations of CO2 were considered: in-plane and top-on with respect to the plane of the heter...

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Publicat a:Journal of the Mexican Chemical Society
Autors principals: Elizabeth Hernández-Marín, Ana Adela Lemus-Santana
Format: Artigo
Idioma:Inglês
Publicat: Sociedad Química de México 2015
Matèries:
DFT
Accés en línia:https://www.redalyc.org/articulo.oa?id=47539242007
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