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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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Bibliografski detalji
Glavni autori: Kale, Seyit, Herzfeld, Judith
Format: Artigo
Jezik:Inglês
Izdano: 2011
Teme:
Online pristup: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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