AzoFlip: Spin-flip TDDFT Data for Non-adiabatic Dynamics of Azobenzene Derivatives
收藏DataCite Commons2024-02-26 更新2025-04-15 收录
下载链接：
https://www.materialsdatafacility.org/detail/axelrod_azoflip_spinflip_derivatives_v1.3
下载链接
链接失效反馈官方服务：
资源简介：
Here you can find information about the quantum chemistry data accompanying our paper, "Excited state, non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential". If you use this data, please cite our paper: https://arxiv.org/abs/2108.04879
提供机构：
Materials Data Facility
创建时间：
2021-10-01
