Supporting data; HKUST-1 optimisation
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https://figshare.com/articles/dataset/Supporting_data_HKUST_1_optimisation/1472890/1
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资源简介：
Supporting data for optimisation with "RVO" method. Energy-volume curve (3 points) with PBEsol and output files from VASP quantum chemistry code for hybrid density functional theory (DFT) calculations with HSEsol functional.
创建时间：
2015-10-23
