[K504-3am] 09. Coordination Chemistry, Organometallic Chemistry

[K504-3am-07] Theoretical study of effect on frontier orbital by hydrogen bonds around P-cluster of Nitrogenase

^○Kazuki Honjo¹, Naoka Amamizu², Yuta Hayashi², Keisuke Sasaki², Masahiro Tsuda², Mitsuhiro Nishida¹, Koki Masuda¹, Ryohei Kishi^2,3,4,5, Yasutaka Kitagawa^2,3,4,5,6 (1. Faculty of Engineering Science, Osaka University, 2. Graduate School of Engineering Science, Osaka University, 3. QIQB, Osaka University, 4. RCSEC, Osaka University, 5. ICS-OTRI, Osaka University, 6. SRN-OTRI, Osaka University)

[Lang.] Japanese

Keywords:Nitrogenase, P-cluster, Quantum chemical calculation, Hydrogen bond