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Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules
Several electronic-structure methods are available to study the photochemistry and photophysics of organic molecules. Among them, ADC(2) stands as a sweet spot between computational efficiency and accuracy. As a result, ADC(2) has recently seen its number of applications booming, in particular to un...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8207513/ https://www.ncbi.nlm.nih.gov/pubmed/34085679 http://dx.doi.org/10.1039/d1cp02185k |