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Pairwise long-range compensation for strongly ionic systems
We propose a pairwise compensation method for long-range electrostatics, as an alternative to traditional infinite lattice sums. The approach represents the third generation in a series beginning with the shifted potential corresponding to counterions surrounding a cutoff sphere. That simple charge...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3254088/ https://ncbi.nlm.nih.gov/pubmed/22247701 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200392u |
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