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Theoretical Approaches for Modeling the Effect of the Electrode Potential in the SERS Vibrational Wavenumbers of Pyridine Adsorbed on a Charged Silver Surface

Vibrational wavenumbers of pyridine adsorbed on a silver electrode have been correlated to the calculated ones from different theoretical approaches based on DFT methods. The vibrational tuning caused by the electrode potential has been simulated by means of pyridine-silver clusters with different d...

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Detalles Bibliográficos
Autores principales: Aranda, Daniel, Valdivia, Samuel, Soto, Juan, López-Tocón, Isabel, Avila, Francisco J., Otero, Juan C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6560080/
https://www.ncbi.nlm.nih.gov/pubmed/31231641
http://dx.doi.org/10.3389/fchem.2019.00423