The 99th CSJ Annual Meeting

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Academic Program (AP)

Physical Chemistry -Properties-

Physical Chemistry -Properties-

Tue. Mar 19, 2019 9:00 AM - 12:00 PM D3 (333, Bldg. 3 [3F])

4D3-01～4D3-06　TACHIKAWA, Takashi
4D3-08～4D3-11　KOMINO, Takeshi
4D3-14～4D3-18　KAWAKAMI, Takashi

AM

10:10 AM - 10:20 AM

[4D3-08] Theoretical study on Iron-oxo porphyrin model complex by hybrid-DFT and DMRG-CAS methods

Oral A

○KAWAKAMI, Takashi; SUZUKI, Yuta; MIYAGAWA, Koichi; SHOJI, Mitsuo; YAMANAKA, Shusuke; OKUMURA, Mitsutaka; NAKAJIMA, Takahito; YAMAGUCHI, Kizashi (RIKEN R-CCS)

PC Setting Time : 10:00 - 10:10

Keywords:Porphyrin、hybrid-DFT、DMRG

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