data_diffusion.tar
收藏Figshare2020-08-07 更新2026-04-08 收录
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https://figshare.com/articles/data_diffusion_tar/12777587/1
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资源简介：
Archive containing TURBOMOLE input/output files as well as AOMIX files for the diffusion of a copper dimer on a MgO(001) surface. Python scripts for postprocessing the quantum chemistry data using ORBKIT and VMD visualization states are also included.
创建时间：
2020-08-07
