CH2I2 Spectral Data
收藏DataCite Commons2024-11-05 更新2025-04-17 收录
下载链接：
https://archive.researchdata.leeds.ac.uk/928/
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资源简介：
Dataset for the full experimental CH2I2 spectrum covering 2932.6 to 3125.4 cm-1, the raw pgopher simulation, extracted spectrum, and line list for each nu_1 simulation and nu_6 simulation, the computational results for 5 different method and basis set combinations, and the computational pgoper simulational and extracted spectrum for the wB97X_def2QZVPP computational results.
提供机构：
University of Leeds
创建时间：
2022-02-24
