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Critical test of isotropic periodic sum techniques with group-based cut-off schemes
Truncation is still chosen for many long-range intermolecular interaction calculations to efficiently compute free-boundary systems, macromolecular systems and net-charge molecular systems, for example. Advanced truncation methods have been developed for long-range intermolecular interactions. Every...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5843630/ https://www.ncbi.nlm.nih.gov/pubmed/29520017 http://dx.doi.org/10.1038/s41598-018-22514-3 |