xyz structure files of the most stable monomers of TEMPOL, 4-hydroxy-2,2,6,6-tetramethylpiperidin, cylcohexanol and the dimers of TEMPOL, TEMPO + TEMPOL and TEMPO + cyclohexanol
收藏DataCite Commons2026-03-13 更新2026-05-03 收录
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https://data.goettingen-research-online.de/citation?persistentId=doi:10.25625/KHZ56B
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资源简介：
Provided are the xyz structure files at B3LYP-D3(BJ,abc)/def2-QZVP level for the following monomers:</p>
- TEMPOL</p>
- 4-hydroxy-2,2,6,6-tetramethylpiperidin (HTMP)</p>
- Cyclohexanol</p>
Also provided are the xyz structure files at B3LYP-D3(BJ,abc)/def2-TZVP level for the following dimers:</p>
- TEMPOL + TEMPOL</p>
- TEMPO + TEMPOL</p>
- TEMPO + Cyclohexanol</p>
提供机构：
GRO.data
创建时间：
2025-12-10
