Supplement Number 1
收藏NIAID Data Ecosystem2026-05-10 收录
下载链接：
https://figshare.com/articles/dataset/Supplement_Number_1/30964552
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资源简介：
benchmarking of electronic structure methods and neural network potential, geometric parameters of the transition state, accuracy evaluation of the neural network potential, computational methodology for thermal rate constants, statistical analysis of nonadiabatic transitions, and assessment of rotational state effects on reaction dynamics
创建时间：
2026-01-16
