Dataset for Hydrogen Atom Abstraction from Methane by Hydroxyl Radical
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://zenodo.org/record/10933973
下载链接
链接失效反馈官方服务：
资源简介：
Data for the reaction OH + CH4 −−→ CH3 + H2O. Contains 167196 geometries and corresponding {omega}B97X/6-31G(D) energies, 12416 geometries and corresponding CCSD(T)/aug-cc-pvtz energies.
创建时间：
2024-04-05
