Computational Study of Very High Spin Actinyl Peroxide Matryoshka Nanoclusters Data Sheet
收藏NIAID Data Ecosystem2026-03-13 收录
官方服务：
资源简介：
The Data Accompanying the Computational Study of Very High Spin Actinyl Peroxide Matryoshka Nanoclusters paper. Please find within the vibrational frequencies, control, coordinate, gradient files, and starting geometries for the suite of PBE calculations performed, as well as the coordinate, control, and DSCF output files for the PBE0 calculations performed at each spin state.
创建时间：
2022-08-16
相关数据集
暂无相关数据集
