Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p‑Aminothiophenol on the Basis of MS-CASPT2 Calculations

The effect of adsorbate concentration on the potential dependent SERS spectra of p-aminothiophenol (pATP) recorded on a silver electrode has been studied using NaClO4 as electrolyte. Multiconfigurational second-order perturbation calculations (MS-CASPT2) have been performed in order to help the anal...

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Veröffentlicht in:	Journal of physical chemistry. C 2016-09, Vol.120 (34), p.19322-19328
Hauptverfasser:	Lopez-Ramirez, Maria Rosa, Aranda Ruiz, Daniel, Avila Ferrer, Francisco José, Centeno, Silvia P, Arenas, Juan F, Otero, Juan C, Soto, Juan
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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