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Reconstruction of Nuclear Ensemble Approach Electronic Spectra Using Probabilistic Machine Learning
[Image: see text] The theoretical prediction of molecular electronic spectra by means of quantum mechanical (QM) computations is fundamental to gain a deep insight into many photophysical and photochemical processes. A computational strategy that is attracting significant attention is the so-called...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097286/ https://www.ncbi.nlm.nih.gov/pubmed/35481363 http://dx.doi.org/10.1021/acs.jctc.2c00004 |