VIBFREQ1295
收藏DataCite Commons2025-05-11 更新2025-05-17 收录
下载链接：
https://dataverse.harvard.edu/citation?persistentId=doi:10.7910/DVN/VLVNU7
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资源简介：
Specifically, the VIBFREQ1295 database is provided as a csv file with each row containing specific information for the molecules in the database (e.g., total number of atoms and non-hydrogen atoms, and molecular classification), the experimental fundamental and calculated harmonic frequencies (with vibrational modes descriptions, symmetries, resolution, and references to the original publications), as well as references to the parent databases used in the development of VIBFREQ1295.
We also provide a PDF file detailing the acronyms in the csv file, as well as additional analysis supporting our findings described in the main manuscript.
提供机构：
Harvard Dataverse
创建时间：
2022-06-03
