atk:用分子动力学方法模拟液体的粘度

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--- atk:用分子动力学方法模拟液体的粘度 [2019/09/29 22:36] – [扩展结果] xie.congwei
+++ atk:用分子动力学方法模拟液体的粘度 [2019/09/29 22:43] (当前版本) – [参考] xie.congwei
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 {{ :atk:methanol_results-20190929.png?600 |}}
+===== 参考 =====
+  * [1]	B. Hess: Determining the shear viscosity of model liquids from molecular dynamics simulations. [[https://aip.scitation.org/doi/abs/10.1063/1.1421362|J. Chem. Phys. 116, 209 (2016)]]
+  * [2]	S. H. Jamali, R. Hartkamp, C. Bardas, J. Sohl, T. J. H. Vlugt, O. A. Moultos: Shear viscosity computed from the finite-size effects of self-diffusivity in equilibrium molecular dynamics. [[https://pubs.acs.org/doi/10.1021/acs.jctc.8b00625|J. Chem. Theory. Comput. 14, 5959 (2018)]]
+  * [3]	(1, 2) D. Gonzalez-Salgado, C. Vega: A new intermolecular potential for simulations of methanol: The OPLS/2016 model. [[https://aip.scitation.org/doi/10.1063/1.4958320|J. Chem. Phys. 145, 034508 (2016)]]
+  * [4]	W. L. Jorgensen, D. S. Maxwell, J. Tirado-Rives: Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids. [[https://pubs.acs.org/doi/10.1021/ja9621760|J. Am. Chem. Soc. 118, 11225 (1996) 118]]

atk/用分子动力学方法模拟液体的粘度.1569767817.txt.gz · 最后更改: 2019/09/29 22:36 由 xie.congwei

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