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QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models
[Image: see text] We present quantum mechanics (QM)/frequency dependent fluctuating charge (QM/ωFQ) and fluctuating dipoles (QM/ωFQFμ) multiscale approaches to model surface-enhanced Raman scattering spectra of molecular systems adsorbed on plasmonic nanostructures. The methods are based on a QM/cla...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10308587/ https://www.ncbi.nlm.nih.gov/pubmed/37278989 http://dx.doi.org/10.1021/acs.jctc.3c00177 |