d‐Orbital Reconstructions Forced by Double Bow‐Shaped Deformations and Second Coordination Sphere Effects of Cu(II) Heme Analogs in HER**

Author:

Liu Qiuhua1,Ren Wanjie2,Zhang Siwei1,Huang Yang3,Chen Dilong1,Zeng Wennan1,Zhou Zaichun1ORCID,He Lin3ORCID,Guo Wenping4,Li Jianfeng2ORCID

Affiliation:

1. Key Laboratory of Theoretical Organic Chemistry and Functional Molecule Ministry of Education and School of Chemistry and Chemical Engineering Institution for Hunan University of Science and Technology Yuhu District Xiangtan 411201 P. R. China

2. College of Materials Science and Optoelectronic Technology University of Chinese Academy of Sciences Yanqi Lake, Huairou District Beijing 101408 P. R. China

3. State Key Laboratory for Oxo Synthesis and Selective Oxidation Suzhou Research Institute of LICP Institution for Lanzhou Institute of Chemical Physics (LICP) Chinese Academy of Sciences Lanzhou 730000 P. R. China

4. National Energy Center for Coal to Clean Fuels Synfuels China Company Ltd Huairou District Beijing 101400 P. R. China

Funder

National Natural Science Foundation of China

Natural Science Foundation of Jilin Province

Publisher

Wiley

Subject

General Chemistry,Catalysis,Organic Chemistry

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