The 103rd CSJ Annual Meeting

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Academic Program [Poster]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Poster

[P1-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Thu. Mar 23, 2023 9:40 AM - 11:10 AM Poster Site (Morito Memorial Gymnasium)

[P1-2am-13] Theoretical analysis of the diffusion behavior of carbon dioxide in metal-organic frameworks

○Yuki Inoue1, Norifumi Yamamoto1 (1. Chiba Institute of Technology)

[Lang.] Japanese

Keywords:Molecular Dynamics, MOF(Metal-Organic-Frameworks), quickFF