Conformational & spectroscopic characterization, charge analysis and molecular docking profiles of chromone-3-carboxylic acid using a quantum hybrid computational method

The Spectroscopic profile of Chromone-3-Carboxylic Acid (abbreviated as C3CA) was examined using FT-IR, FT-Raman, UV, (1)H and (13)C NMR techniques. The geometrical parameters and energies attained from DFT/B3LYP method with 6–311++G (d,p) basis sets calculations. The geometry of the molecule was fu...

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Detalles Bibliográficos
Autores principales: Jayasheela, K., Nagabalasubramanian, P.B., Periandy, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7550930/
https://www.ncbi.nlm.nih.gov/pubmed/33083580
http://dx.doi.org/10.1016/j.heliyon.2020.e04775

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7550930/
https://www.ncbi.nlm.nih.gov/pubmed/33083580
http://dx.doi.org/10.1016/j.heliyon.2020.e04775

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