[J403-1am] 09. Coordination Chemistry, Organometallic Chemistry

[J403-1am-03] Theoretical study on the effect of dispersion correction in 3,5-bis(2-pyridyl)pyrazole-bridged binuclear iridium-copper complex with p-styrenesulfonate ligand

^○Yuta Hayashi¹, Yoshihiro Shimoyama², Dachao Hong², Yasutaka Kitagawa^3,4,5,6, Masayoshi Nakano^3,4,5,6,7 (1. Faculty of Engineering Science, Osaka University, 2. National Institute of Advanced Industrial Science and Technology (AIST), 3. Graduate School of Engineering Science, Osaka University, 4. Center for Spintronics Research Network, Osaka University, Graduate School of Engineering Science, Osaka University, 5. Center for Quantum Information and Quantum Biology, Osaka University, 6. Reserch Center for Solar Energy Chemistry (RCSEC), Graduate School of Engineering Science, Osaka University, 7. Innovative Catalysis Science Division (ICS), OTRI, Osaka University)

[Lang.] Japanese

Keywords:density functional theory (DFT) calculation