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Theory of chemical bonds in metalloenzymes XXIV electronic and spin structures of FeMoco and Fe-S clusters by classical and quantum computing

Koichi Miyagawaa, Mitsuo Shojib, Hiroshi Isobec, Shusuke Yamanakad,e, Takashi Kawakamid,f, Mitsutaka Okumurad and Kizashi Yamaguchia,e,f,g

MolPhys(20)e1760388

 

aThe Institute for Scientific and Industrial Research, Osaka University, Ibaraki, Japan

bCenter of Computational Sciences, Tsukuba University, Tsukuba, Japan

cGraduate School of Natural Science and Technology, Okayama University, Okayama, Japan

dGraduate School of Science, Osaka University, Toyonaka, Japan

eDivision of Quantum Information and Quantum Biology (QIQB), Osaka University, Toyonaka, Japan

fRIKEN Center for Computational Science, Kobe, Japan; gInstitute for Nanoscience Design, Osaka University, Toyonaka, Japan