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Electronic state

Wed. Sep 28, 2022 4:30 PM - 7:00 PM Poster (Hakodate Arena Main Arena)

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5:30 PM - 6:30 PM

[1Pos126] Application of Constant Final State Photoelectron Yield Spectroscopy to Protein Films to Elucidate Their Occupied Electronic Structure

〇Masaki Tomita¹, Bera Sudipta⁴, Ryotaro Nakazawa¹, Rio Ushiroda¹, Ichiro Ide¹, Cahen David⁴, Hisao Ishii^1,2,3 (1.GSSE Chiba Univ, 2.CFS Chiba Univ, 3.MCRC Chiba Univ, 4.Weizmann Inst)

4:30 PM - 5:30 PM

[1Pos127] Structural refinement considering the electron orbitals in structural analysis using electron diffraction

〇Yasuhisa Honda¹, Keigo Takahira¹, Takuo Yasunaga¹ (1.Dept of Computer Science and Engineering, Kyushu Institute of Technology)

5:30 PM - 6:30 PM

[1Pos128] Theoretical characterization of the active site and its formation pathway in oxidized [NiFe]-hydrogenase

〇Yuta Hori¹, Yasuteru Shigeta¹ (1.Center for Computational Sciences, Univ. Tsukuba)

4:30 PM - 5:30 PM

[1Pos129] Further development of STCSB, Scala Tool for the Computational Science of Biomolecules, to add a quantum- chemistry calculation module

〇Ryoutarou Matsuda¹, Mika Mitsumatsu¹, Itaru Onishi¹, Masayuki Irisa¹ (1.Kyushu Inst. of tech)

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