The 99th CSJ Annual Meeting

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Tue. Mar 19, 2019 9:00 AM - 12:00 PM D6 (336, Bldg. 3 [3F])

4D6-01～4D6-05　TAKAHASHI, Satoshi
4D6-07～4D6-11　SAITO, Toru
4D6-13　TORII, Hajime

AM

10:40 AM - 10:50 AM

[4D6-11] Theoretical study of catalytic H2 oxidation by a half-sandwich iridium complex H

Oral A

○IKEDA, Kei; HORI, Yuta; SHIOTA, Yoshihito; MUHAMMAD HARIS, Mahyuddin; STAYKOV, Aleksandar; MATSHUMOTO, Takahiro; YOSHIZAWA, Kazunari; OGO, Seiji (Grad. Sch. Eng., Kyushu Univ.; IMCE, Kyushu Univ.; I2CNER, Kyushu Univ.; Center for Small Molecule Energy, Kyushu Univ.)

PC Setting Time : 09:50 - 10:00

Keywords:half-sandwich iridium complex、H2 oxidation、heterolitic cleavage、hydride complex、density functional theory

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