Supplementary Data for "Resolving the Structures of AlM2O4+ (M = Fe, Co) through Multireference Methods"
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资源简介：
This dataset contains computational input/output files, converged wave function files, experimental IRPD spectra, molecular geometries, and energy summary spreadsheets supporting the multireference and KS-DFT results reported in the manuscript.
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Zenodo创建时间：
2026-05-07
