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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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| 出版年: | J Chem Phys |
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| 主要な著者: | , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
AIP Publishing LLC
2017
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5336477/ https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4977214 |
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