Vibrational spectroscopy, quantum computational and molecular docking studies on 2-chloroquinoline-3-carboxaldehyde

The quantum mechanical density functional theory (DFT) approach was used to analyze vibrational spectroscopy for the title compound 2-chloroquinoline-3-carboxaldehyde, and the observations were compared to experimental results. B3LYP with the 6–311++ G (d, p) basis set produces the optimized molecul...

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Detalles Bibliográficos
Autores principales: Saral, A., Sudha, P., Muthu, S., Sevvanthi, S., Sangeetha, P., Selvakumari, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8319014/
https://www.ncbi.nlm.nih.gov/pubmed/34345729
http://dx.doi.org/10.1016/j.heliyon.2021.e07529

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8319014/
https://www.ncbi.nlm.nih.gov/pubmed/34345729
http://dx.doi.org/10.1016/j.heliyon.2021.e07529

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