five

Supplementary Material

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DataCite Commons2026-02-26 更新2026-03-28 收录
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https://aip.figshare.com/articles/dataset/Supplementary_Material/31305775
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资源简介:
The electronic supplementary material includes computational results pertaining to the conformational sampling and exploratory quantum chemical calculations of the different conformations of glycolic acid and 2-hydroxyisobutyric acid and the corresponding monohydrates and homodimers employing the CREST, ORCA and Gaussian quantum chemical packages, naming conventions of the involved molecular structures, details concerned with the anharmonic vibrational spectral simulations and complete experimental vibrational assignments.
提供机构:
AIP Publishing
创建时间:
2026-02-10
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