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Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation
[Image: see text] In this paper, we demonstrate the possibility to perform spectroscopy simulations of solvated biological species taking into consideration quantum effects and explicit solvation. We achieve this goal by interfacing our recently developed divide-and-conquer approach for semiclassica...
| 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/PMC8842300/ https://www.ncbi.nlm.nih.gov/pubmed/35109652 http://dx.doi.org/10.1021/acs.jpclett.1c04087 |