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A protocol to evaluate one electron redox potential for iron complexes |
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| Authors: | Hyungjun Kim Joungwon Park Yoon Sup Lee |
| Institution: | 1. Department of Chemistry, KAIST, , Daejeon, 305‐701 Korea;2. Battery Group, Energy Lab, Samsung Advanced Institute of Technology, Samsung Electronics, , Yongin‐si, Gyeonggi‐do, 446‐712 Korea |
| Abstract: | |
| Keywords: | redox potential of iron complexes redox flow battery DFT calculation cavity in solvation model spin state energy spin corrected basis set |