Data for article: Exploring exohedral functionalization of fullerene with Automation and Neural Network Potential
收藏Figshare2022-10-16 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/Data_for_article_Exploring_exohedral_functionalization_of_fullerene_with_Automation_and_Neural_Network_Potential/21324543
下载链接
链接失效反馈官方服务：
资源简介：
Data is arranged as follows: NNP_Dataset_and_Test_performance.rar Dataset for the Neural Network Potential (NNP) and the test performance for models. swr_path_corr_test.rar Data of pathway analysis for C66Cl10 system. Data of Stone-Wales Rearrangement(SWR) analysis for co-crystallization systems. Correlation test for all the 32 cases related in single point validation test 2.
创建时间：
2022-10-16
