Benchmarking of density functionals for Z-azoarene half-lives via automated transition state search
收藏Figshare2021-02-17 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Benchmarking_of_density_functionals_for_Z-azoarene_half-lives_via_automated_transition_state_search/14046821
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资源简介：
These folders contain optimized geometries of 11 azoarenes that were benchmarked with 28 density functionals and 5 basis sets.
创建时间：
2021-02-17
