Data for "Trends in structure and IR spectra of mixed H2O/CO2 ices of astrochemical relevance"
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资源简介：
Dataset containing H2O/CO2 ices analyzed in the paper "Trends in structure and IR spectra of mixed H2O/CO2 ices of astrochemical relevance". The data is provided in the ASE trajectories (.traj) file format. The .traj files contains most stable structures found in global optimization structure searches or the least segregated structures from randomly placing molecules.
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Zenodo创建时间：
2025-02-20
