遇见数据集

Crystal structure, PXRD, FTIR-ATR, thermal analysis, DFT and ESP data

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Zenodo2024-05-01 更新2026-05-26 收录
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资源简介:

The zip file contains folder with selected PXRD, FTIR-ATR, thermal analysis, single crystal structure (CIF) data, as well as calculated ESP data, as well as data relevant for periodic DFT calculations.

提供机构:
Zenodo
创建时间:
2024-04-27
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