Complementary-Data-UPC-paper-2026-Margate
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资源简介：
This dataset contains the computational and experimental vibrational data supporting the manuscript: Synthesis and Vibrational Identification of the Uranyl Peroxodicarbonate [UO₂(O₂)(CO₃)₂]⁴⁻: Insights into Peroxo-Carbonate Bonding from ¹⁸O Labeling, DFT and QTAIM Analysis. The repository includes: Simulated Raman and FTIR spectra (B3LYP-COSMO) Raw experimental Raman and ATR-FTIR spectra Optimized geometries (.xyz) Selected Gaussian input files
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Zenodo创建时间：
2026-02-13
