Structures of p-xylylenediamine, CB7 and a p-xylylenediamine-CB7 complex
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https://figshare.com/articles/dataset/Strutures_for_Figure_2/1290639
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Built with Avogadro and optimized using the MMFF force field Structures for Figure 2 in the paper Predicting binding free energies in solution
提供机构：
figshare
创建时间：
2015-01-17
