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

Koichi Miyagawa^a, Mitsuo Shoji^b, Hiroshi Isobe^c, Shusuke Yamanaka^d,e, Takashi Kawakami^d,f, Mitsutaka Okumura^d and Kizashi Yamaguchi^a,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