Binding energies of ethanol and ethylamine on interstellar water ices
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This Supporting Material contains the fractional coordinates of HF-3c optimized adsorption complexes for crystalline and amorphous periodic ice models in .mol format, editable with MOLDRAW, using CRYSTAL17 computer code of: Ethylamine and ethanol adsorption complexes on crystalline ice (CI); Ethylamine and ethanol adsorption complexes on amorphous ice (ASW); A-layer and B-layer (100) surfaces of EtNH2, plus three adsorption complexes of ethylamine on these surfaces; A-layer and B-layer (010) surfaces of EtOH, plus three adsorption complexes of ethanol on these surfaces.
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Zenodo创建时间:
2024-06-02



