Relative Stability Between the Manganese Hydroxide- and Oxo-Models for Water Oxidation by CCSD, DMRG CASCI, CASSCF, CASPT2 and CASDFT Methods; Importance of Static and Dynamical Electron Correlation Effects for OEC of PSII
Chemical Physics Letters（2018）
关键词
Water oxidation,Reaction mechanism,CaMn4O5 cluster,OEC of PSII,DMRG method,LPNO-CC method,CAS-DFT method
AI 理解论文
溯源树
样例
生成溯源树，研究论文发展脉络
Chat Paper
正在生成论文摘要