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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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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Phys
Prif Awduron: Urbic, T., Mohoric, T.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: AIP Publishing LLC 2017
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC5336477/
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4977214
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