ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation

Name: ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation
Creator: Peking University; Rutgers University–Newark
Published: 2024-10-21T00:00:00+08:00

Zenodo2024-10-21 更新2026-04-07 收录

反应动力学

反应网络生成

数据链接：

https://zenodo.org/doi/10.5281/zenodo.13869992 数据链接链接失效反馈

官方服务：

资源简介：

ReaxFF simulations, QM calculation input/output files, and Jupyter notebooks for data analysis and visualization.

提供机构：

Peking University; Rutgers University–Newark

创建时间：

2024-10-21

ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation

资源简介：

相关数据集