Data for "Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks"
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资源简介：
The AiiDA archives of the high-throughput calculations presented in the paper "Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks". The file "MOF_workflows.aiida" contains the actual calculation data and the files with suffix "*.yaml" contain configuration files of the workflows.
创建时间：
2024-11-06
