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Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon

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NIAID Data Ecosystem2026-05-01 收录
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https://zenodo.org/record/8239308
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资源简介:
Additional files for our submitted research paper. Optimized molecular geometries (xyz coordinates) of neutral cyclophane and its di- and tetraanion in gas phase, CAM-B3LYP def2-TZVP level of theory, calculated using Gaussian16 software.
创建时间:
2023-08-12
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