Tyrosine_ExcitedStates
收藏NIAID Data Ecosystem2026-03-12 收录
下载链接：
https://figshare.com/articles/dataset/Tyrosine_ExcitedStates/15132081
下载链接
链接失效反馈官方服务：
资源简介：
Data set to train 29 spin-mixed excited states of tyrosine. Reference method is ADC(2)/cc-pVDZ. The data includes augmented data based on CASPT2(12,11)/ano-rcc-pVDZ.initconds.excited for initiating dynamics of tyrosine according to Ref. https://arxiv.org/abs/2108.04373
创建时间：
2021-08-08
