BODIPYs
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The BODIPYs dataset contains (gas phase) DFT level geometries and TDDFT level properties of the S<sub>0</sub> → S<sub>1</sub> first electronic excited state of 77,412 molecules derived from the BODIPY dye by combinatorial substitution.<br>For more details see: https://moldis-group.github.io/BODIPYs/<br>Contact: ramakrishnan@tifrh.res.in, raghu.rama.chem@gmail.com<br>
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figshare创建时间：
2021-08-28
