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Investigation of the Electronic Structure and Optical Spectra of Uranium (IV), (V), and (VI) Complexes Using Multiconfigurational Methods
[Image: see text] Interpreting electronic spectra of uranium-containing compounds is an important component of fundamental chemistry as well as in the assessment of waste streams in the nuclear fuel cycle. Here we employ multiconfigurational calculations with CASSCF or DMRGSCF methods on exemplar ur...
| 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/PMC9483975/ https://www.ncbi.nlm.nih.gov/pubmed/36067502 http://dx.doi.org/10.1021/acs.jpca.2c03314 |