Binding energies of ethanol and ethylamine on interstellar water ices
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/11103453
下载链接
链接失效反馈官方服务：
资源简介：
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.
创建时间：
2024-06-02
