Interaction of thiourea and urea with maleimide: comparative theoretical DFT study

A gas-phase mechanism reaction of maleimide with urea or thiourea was studied by DFT method. A comparison between atomic charges, Fukui index evaluation and Frontier orbitals theory was carried out. The involvement of pre- and post-reactive complexes was examined as the reaction profiles are modelle...

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Detalles Bibliográficos
Autores principales: Achoui, Nabila, Zaioua, Karima, Hammoutène, Dalila, Kolli-Nedjar, Bellara, Akacem, Yamina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6819788/
https://www.ncbi.nlm.nih.gov/pubmed/31687533
http://dx.doi.org/10.1016/j.heliyon.2019.e02330

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6819788/
https://www.ncbi.nlm.nih.gov/pubmed/31687533
http://dx.doi.org/10.1016/j.heliyon.2019.e02330

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