ListarQF - Contribuciones a congresos científicos por tema "Electronic structure"
Mostrando ítems 1-5 de 5
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Diabatic Approach for SERS: From Quantum Dynamics to Spectra.
(2024)SERS (Surface-Enhanced Raman Spectroscopy) has established itself as an important characterization technique, owing to both its characteristically high intensities and the large amount of information it is capable of ... -
Electric field and charged cluster dual model for Potential Depdendent Surface-Enhanced Raman Spectroscopy
(2022)The computation of electrochemical systems is very challenging because of the many variables involved.1 Among them, the effect of the electrode potential is particularly complex to be introduced in atomistic models. In ... -
Electric field and solvent model for Electrochemical SERS: excited-state and enhancement tuning
(2023)Being SERS a promising technique due to it potentially combining the well-known characterization prowess of Raman with the high sensitivity arising from nanoparticle-associated enhancement, 1 understanding the mechanisms ... -
Raman spectroscopy as a versatile tool to study organic biradicals
(2018-10-02)In recent years, there has been a renewed interest in the study of open-shell polycyclic aromatic hydrocarbons (PAHs). Among them, biradicals are characterized by a four states energetic model for the low lying electronic ... -
The influence of electrode potential on SERS through the electronic structure of nanostructured metal-cyanide interfaces
(2022-03-15)Experimental and theoretical calculations confirm the existence of two different electronic structures of a surface complex formed by a particular molecule bonded to charged metal electrodes, clusters, or nanoparticles. ...