Computational molecular characterization of the flavonoid rutin

In this work, we make use of a model chemistry within Density Functional Theory (DFT) recently presented, which is called M05-2X, to calculate the molecular structure of the flavonoid Rutin, as well as to predict the infrared (IR) and ultraviolet (UV-Vis) spectra, the dipole moment and polarizabilit...

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Detalles Bibliográficos
Autores principales: Payán-Gómez, Sergio A, Flores-Holguín, Norma, Pérez-Hernández, Antonino, Piñón-Miramontes, Manuel, Glossman-Mitnik, Daniel
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904757/
https://www.ncbi.nlm.nih.gov/pubmed/20569488
http://dx.doi.org/10.1186/1752-153X-4-12

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904757/
https://www.ncbi.nlm.nih.gov/pubmed/20569488
http://dx.doi.org/10.1186/1752-153X-4-12

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