Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"
收藏DataverseNO2023-02-21 更新2026-04-13 收录
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https://dataverse.no/citation?persistentId=doi:10.18710/NQKRKJ
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资源简介：
The dataset contains xyz-files with geometries for structures used for calculations in"Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study".
提供机构：
NTNU – Norwegian University of Science and Technology; SINTEF
创建时间：
2022-01-01
