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Multiscale Modeling of Electronic Spectra Including Nuclear Quantum Effects
[Image: see text] Theoretical prediction of electronic absorption spectra without input from experiments is no easy feat, as it requires addressing all of the factors that affect line shapes. In practice, however, the methodologies are limited to treat these ingredients only to a certain extent. Her...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8515811/ https://www.ncbi.nlm.nih.gov/pubmed/34582200 http://dx.doi.org/10.1021/acs.jctc.1c00531 |