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Effects of translational and rotational degrees of freedom on properties of the Mercedes–Benz water model

Non–equilibrium Monte Carlo and molecular dynamics simulations are used to study the effect of translational and rotational degrees of freedom on the structural and thermodynamic properties of the simple Mercedes–Benz water model. We establish a non–equilibrium steady state where rotational and tran...

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Bibliografski detalji
Izdano u:J Chem Phys
Glavni autori: Urbic, T., Mohoric, T.
Format: Artigo
Jezik:Inglês
Izdano: AIP Publishing LLC 2017
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5336477/
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4977214
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