Sixth CCDC Blind Test: Calculated Crystal Structures
收藏Mendeley Data2024-01-31 更新2024-06-27 收录
下载链接：
http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.6bt.s25.XXII.l2&sid=DataCite
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资源简介：
A set of calculated crystal structures for target XXII in the CCDC's sixth blind test of organic crystal-structure prediction methods, corresponding to list 2 of submission 25. These structures are freely available from the CCDC and include 3D coordinates, cell parameters and space group.
创建时间：
2024-01-31
