Research data for Super-Reduced Bi23− Radical paper
收藏DataCite Commons2023-01-26 更新2025-04-17 收录
下载链接：
https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Super-Reduced_Bi23_Radical_paper/21960062/1
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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.
提供机构：
University of Manchester
创建时间：
2023-01-26
