Computational data for "Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion"

Name: Computational data for "Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion"
Creator: Friedrich-Alexander-University Erlangen-Nürnberg
Published: 2025-01-08T00:00:00+08:00

Zenodo2025-01-08 更新2026-04-07 收录

自由基化学

密度泛函理论计算

数据链接：

https://zenodo.org/doi/10.5281/zenodo.14614609 数据链接链接失效反馈

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资源简介：

Computed DFT structures and EPR data as described in "Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion", Chem. Sci. (2025)

提供机构：

Friedrich-Alexander-University Erlangen-Nürnberg

创建时间：

2025-01-08