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Ewels_Structures_ESM.tar.gz.png from Determining addition pathways and stable isomers for CF<sub>3</sub> functionalization of endohedral Gd@C<sub>60</sub>

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The Royal Society Figshare2020-10-13 更新2026-04-17 收录
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资源简介:

Folders containing all calculated optimised atomic structures of Gd@C60(CF3)n in xyz format (Zip and tarred file) and their energies in Hartrees. Remove the .png extension before unpacking.

创建时间:
2018-08-20
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