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Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects

Kirkwood-Buff (KB) integrals provide a connection between microscopic properties and thermodynamic properties of multicomponent fluids. The estimation of KB integrals using molecular simulations of finite systems requires accounting for finite size effects. In the small system method, properties of...

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Bibliografiske detaljer
Udgivet i:Nanomaterials (Basel)
Main Authors: Dawass, Noura, Krüger, Peter, Schnell, Sondre K., Moultos, Othonas A., Economou, Ioannis G., Vlugt, Thijs J. H., Simon, Jean-Marc
Format: Artigo
Sprog:Inglês
Udgivet: MDPI 2020
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7221661/
https://ncbi.nlm.nih.gov/pubmed/32316368
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/nano10040771
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