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Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature
Nuclear quantum effects (NQE) tend to generate delocalized molecular dynamics due to the inclusion of the zero point energy and its coupling with the anharmonicities in interatomic interactions. Here, we present evidence that NQE often enhance electronic interactions and, in turn, can result in dyna...
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| Publicat a: | Nat Commun |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Nature Publishing Group UK
2021
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7815839/ https://ncbi.nlm.nih.gov/pubmed/33469007 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-020-20212-1 |
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