Datasets for: "Many-Body Mechanochemistry: Intra-molecular Strain in Condensed Matter Chemistry"
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下载链接：
https://www.materialsdatafacility.org/detail/mbsmd_v1.2
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资源简介：
Dataset includes all activation barriers for mechanochemical simulations of TATB and Spiropyran using the MBsMD method. TATB reaction counts and Spiropyran free energy are also included.
提供机构：
Materials Data Facility
创建时间：
2023-02-10
