SIESTA input and output files for calculations on γ-glycine
收藏Research Data Australia2024-12-14 收录
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资源简介：
This dataset is an archive of input and output SIESTA files for simulations of the enantioselective adsorption of organic compounds on crystal surfaces. In particular, these files contain the results of the adsorption of pyrimidyl-5-carbaldehyde and 2-methylpyrimidyl-5-carbaldehyde on surfaces of γ-glycine.
提供机构：
Curtin University
