Dataset for "Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal–Organic Framework"

Supporting data for: “Charting the complete thermodynamic landscape of gas adsorption for a responsive metal-organic framework”, R. Goeminne, S. Krause, S. Kaskel, T. Verstraelen and J. D Evans, <strong>2021</strong>, <em>J. Am. Chem. Soc.</em>, DOI: 10.1021/jacs.1c00522 <strong>Contents of repository</strong> Input files for the Hybrid GCMC simulations Osmotic potential energy surfaces from the Hybrid GCMC simulations本支撑数据集对应论文《响应型金属有机框架气体吸附完整热力学图谱绘制》（Charting the complete thermodynamic landscape of gas adsorption for a responsive metal-organic framework），作者为R. Goeminne、S. Krause、S. Kaskel、T. Verstraelen与J. D Evans，发表于2021年《美国化学会志》（J. Am. Chem. Soc.），DOI：10.1021/jacs.1c00522。**仓库内容**：混合巨正则蒙特卡洛（Hybrid GCMC）模拟输入文件，以及混合GCMC模拟所得的渗透势能面。