Computational Methods for Investigating Organic Radical Species
收藏Mendeley Data2024-06-29 更新2024-06-30 收录
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https://zenodo.org10875847
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资源简介：
Supporting information for the paper: Computational Methods for Investigating Organic Radical Species This repository contains the tabulated data, ASE databases, and Jupyter notebooks used for analysing and visualising the data. The optimised structures and single point calculations can accessed on ioChemBD.
创建时间：
2024-03-28
