Computational Methods for Investigating Organic Radical Species
收藏Zenodo2024-07-02 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.10875847
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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.
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Zenodo
创建时间：
2024-03-26
