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Finite-Size Effects

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3 results in Keywords: Finite-Size Effects

Physical Chemistry

Finite-size Effects on the Calculation of X-ray Scattering from Molecular Dynamics Simulations

Asmus Ougaard Dohn, Verena Isabell Markmann, Amke Nimmrich, Kristoffer Haldrup, Klaus Braagaard Møller, Martin Meedom Nielsen

Version 2 posted 22 June 2023

518

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Chemical Engineering and Industrial Chemistry

Molecular Modelling of Ionic Liquids: General Guidelines on Fixed-Charge Force Fields for Balanced Descriptions

Zhaoxi Sun, Zhihao Gong, Lei Zheng, Payam Kalhor, Zhe Huai, Zhirong Liu

Version 2 posted 30 June 2022

645

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Theoretical and Computational Chemistry

Computing Accurate True Self-Diffusion Coefficients and Shear Viscosities Using the OrthoBoXY-Approach

Johanna Busch, Dietmar Paschek

Version 1 posted 15 November 2023

329

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