CH3CH2OCH3 molecule 200 ps MD trajectory with energies and forces
收藏数据链接：
官方服务：
资源简介：
Forces and Energies for 200 ps MD trajectory of OCH2C2H6 molecule by xTB/GFN-2, NVE ensemble temp = 300.0 K<br> time = 200.0 ps<br> dump time = 10.0 fs<br> step = 0.4 fs Dataset is intended to be used for machine learning algorithms tests.
提供机构：
Zenodo创建时间：
2022-03-07
