Quantum mechanical modeling of the on-grain formation of acetaldehyde on H2O:CO dirty ice surfaces
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https://zenodo.org/record/7937758
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资源简介：
This Supporting Material contains:
Cartesian coordinates of HF-3c optimized minima and transition state for the reaction in gas phase, in .xyz format, computed using Gaussian16 code;
Fractional coordinates of HF-3c optimized minima and trasition state structures for crystalline periodic models in .mol format, editable with MOLDRAW, computed using CRYSTAL17 computer code.
创建时间：
2023-08-15
