Design rules for optimization of photophysical and kinetic properties of azoarene photoswitches
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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.
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figshare创建时间：
2023-04-26
