Theoretical evaluation of kinetic triple oxygen isotope fractionation during sulfite oxidation by atmospheric oxygen
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https://data.mendeley.com/datasets/bvwvdjb5th
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资源简介：
The optimized geometries for SO32-, HSO4-, H2O, SO5•-, transition state, and O2, computed at the ωB97XD/6-311+G(2df,2p) level of theory and the key geometric parameters.
创建时间：
2025-11-17
