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Intermolecular-Type Conical Intersections in Benzene Dimer
The equilibrium and conical intersection geometries of the benzene dimer were computed in the framework of the conventional, linear-response time-dependent and spin-flipped time-dependent density functional theories (known as DFT, TDDFT and SF-TDDFT) as well as using the multiconfigurational complet...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9917476/ https://www.ncbi.nlm.nih.gov/pubmed/36769227 http://dx.doi.org/10.3390/ijms24032906 |