SVR ML dataset for D1-D2-A ratcheted systems
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https://data.mendeley.com/datasets/s4wwkv5bkc
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资源简介：
The dataset consists of 45144 D1-D2-A models, characterized by their energy gap (D2-D1 ENERGY GAP) and the electronic coupling (J) between D1 and D2 and the frequency (FREQUENCY) and Huang-Rhys factor (SIGMA) of the intramolecular vibrational mode serving as a vibronic ratchet. The dataset lists the LE resonance values (LOCAL-EXCITON RESONANCE) and the calculated values of the acceptor yields at 1 ps (A_1PS) for each of these models.
创建时间：
2021-08-17
