Supplementary DFT Data for O2 and N2 Binding in MOFs
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资源简介：
Supplementary dataset to support "Tuning the Redox Activity of Metal−Organic Frameworks for Enhanced, Selective O<sub>2</sub> Binding" (M06-L) and "Comparing GGA, GGA+<em>U</em>, and Meta-GGA Functionals for Redox-Dependent Binding at Open Metal Sites in Metal−Organic Frameworks" (PBE and PBE+U)
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Zenodo创建时间：
2020-04-08
