[F1233-2pm] 09. Coordination Chemistry, Organometallic Chemistry

3:10 PM - 3:20 PM JST(6:10 AM - 6:20 AM UTC)Japanese

[F1233-2pm-10] Theoretical study on effect of surrounding environment on electronic states around reaction active center of nitrogenase

○Kazuki Honjo¹, Ryohei Kishi^1,2,3,4, Yasutaka Kitagawa^1,2,3,4,5 (1. Graduate School of Engineering Science, Osaka University, 2. QIQB, Osaka University, 3. RCSEC, Osaka University, 4. ICS-OTRI, Osaka University, 5. SRN-OTRI, Osaka University)

Keywords:

Nitrogenase,Nitrogen fixation,Quantum chemical calculation,Density functional theory