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Universal Pairwise Interatomic van der Waals Potentials Based on Quantum Drude Oscillators
[Image: see text] Repulsive short-range and attractive long-range van der Waals (vdW) forces play an appreciable role in the behavior of extended molecular systems. When using empirical force fields, the most popular computational methods applied to such systems, vdW forces are typically described b...
| 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/PMC10653113/ https://www.ncbi.nlm.nih.gov/pubmed/37875419 http://dx.doi.org/10.1021/acs.jctc.3c00797 |