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Quantum Vibronic Effects on the Electronic Properties of Molecular Crystals
[Image: see text] We present a study of molecular crystals, focused on the effect of nuclear quantum motion and anharmonicity on their electronic properties. We consider a system composed of relatively rigid molecules, a diamondoid crystal, and one composed of floppier molecules, NAI-DMAC, a thermal...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10339675/ https://www.ncbi.nlm.nih.gov/pubmed/37378491 http://dx.doi.org/10.1021/acs.jctc.3c00424 |