The 103rd CSJ Annual Meeting

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Academic Program [Oral B]

04. Physical Chemistry -Properties- » Oral B

[K203-3vn] 04. Physical Chemistry -Properties-

Fri. Mar 24, 2023 4:10 PM - 5:50 PM K203 (K203, Lecture Hall Bldg. [2F])

Chair: Hiroyuki Nishikawa, Ryo Tsunashima

4:50 PM - 5:10 PM

[K203-3vn-03] Effects of solid surfaces on diradical characters of adsorbed molecules

○Kohei Tada1, Koji Fujimaru1,2, Hiroyuki Ozaki1, Yasutaka Kitagawa2, Takashi Kawakami2, Mitsutaka Okumura2, Shingo Tanaka1 (1. AIST, 2. Osaka Univ.)

[Lang.] Japanese

Keywords:Molecule/surface interaction, Diradical character, Density functional theory