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Chemical reactivity, molecular electrostatic potential and in-silico analysis on benzimidazole fungicide benomyl

We are reporting theoretical concepts and biological activity of benomyl using different techniques. The molecular orbital contributions are studied by using Total Density of States (TDOS) analysis. The chemical reactivity of the molecule have been determined with the help of global reactivity descr...

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Detalles Bibliográficos
Autores principales: Mol, G.P. Sheeja, Aruldhas, D., Joe, I. Hubert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9647497/
https://www.ncbi.nlm.nih.gov/pubmed/36387528
http://dx.doi.org/10.1016/j.heliyon.2022.e11417