Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide

The present work reports the application of density functional theory (DFT) at B3LYP with various basis sets which provide the relationship between the structural and spectral properties of 4-ethoxy-2, 3-difluoro benzamide (4EDFB). A Complete vibrational analysis has been performed at the density fu...

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Detalles Bibliográficos
Autores principales: Vidhya, V., Austine, A., Arivazhagan, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895590/
https://www.ncbi.nlm.nih.gov/pubmed/31844688
http://dx.doi.org/10.1016/j.heliyon.2019.e02365

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895590/
https://www.ncbi.nlm.nih.gov/pubmed/31844688
http://dx.doi.org/10.1016/j.heliyon.2019.e02365

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