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Sixth CCDC Blind Test: Calculated Crystal Structures

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Mendeley Data2024-01-31 更新2024-06-27 收录
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A set of calculated crystal structures for target XXV in the CCDC's sixth blind test of organic crystal-structure prediction methods, corresponding to list 1 of submission 25. These structures are freely available from the CCDC and include 3D coordinates, cell parameters and space group.

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2024-01-31
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