Design rules for optimization of photophysical and kinetic properties of azoarene photoswitches
收藏Figshare2023-04-26 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Design_rules_for_optimization_of_photophysical_and_kinetic_properties_of_azoarene_photoswitches/22696471
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资源简介：
The data attached is all of the optimized files for a set of 26 hemi-azothiophenes systems. This contains optimized transition states for the Z/E thermal isomerization, along with the reactive conformers, and IRC calculations from the optimized transition states. All TDDFT data is also given.
创建时间：
2023-04-26
