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Solutions of the Optimized Closure Integral Equation Theory: Heteronuclear Polyatomic Fluids

Recently, we developed a thermodynamically optimized integral equation method which has been successfully tested on both simple and homonuclear diatomic Lennard-Jones fluids [J. Chem. Phys. 2007, 126, 124107]. The systematic evaluation of correlation functions required by the optimization of the che...

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Hlavní autoři: Marucho, M., Kelley, C. T., Pettitt, B. Montgomery
Médium: Artigo
Jazyk:Inglês
Vydáno: 2008
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2600873/
https://ncbi.nlm.nih.gov/pubmed/19234594
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct700202h
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