Research data for Super-Reduced Bi23− Radical paper
收藏数据链接：
官方服务：
资源简介：
This is the computational research data for the paper. It contains density-functional theory calculations for the Gd compounds which predict the magnetic coupling within those molecules. The dataset also contains complete active space self-consistent field type calculations for the Y, Tb and Dy molecules, which allow us to explain the experimental UV-visible spectra, and magnetic data.
创建时间：
2023-01-26
