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Correction of diffusion calculations when using two types of non-rectangular simulation boxes in molecular

Ting Cao1, Xiangfei Ji2, Jinpeng Wu1

  • 1Department of Physics, North University of China, Taiyuan, 030051, China.

Journal of Molecular Modeling
|January 6, 2019
PubMed

Keywords:
Diffusion coefficientPeriodic boundary conditionsRhombic dodecahedronTruncated octahedron

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