遇见数据集

SVR ML dataset for D1-D2-A ratcheted systems

收藏
Mendeley Data2026-04-18 收录
官方服务:

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
二维码
社区交流群
二维码
科研交流群
商业服务