YARP
收藏DataCite Commons2022-02-20 更新2024-07-29 收录
下载链接：
https://figshare.com/articles/dataset/YARP/14766624/2
下载链接
链接失效反馈官方服务：
资源简介：
This is a dataset generated by Yet Another Reaction Program (YARP), including pyGSM reaction pathways, Gaussian transitions states optimization file, IRC calculation results, etc.<br>Four systems are provided, 'KHP network' involves reactions of gamma-ketohydroperoxide and it's 12 intended products. 'Z-benchmark' involves reactants obtained from Zimmerman testing set.
提供机构：
figshare
创建时间：
2022-02-20
