Theoretical study on the intermolecular interactions and optical response properties of slipped-stacked molecular crystals composed of open-shell molecules

○KISHI

Presentation information

Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 1:10 PM - 5:20 PM D6 (336, Bldg. 3 [3F])

2D6-26～2D6-31　HARUTA, Naoki
2D6-33～2D6-36　SUGIMOTO, Manabu
2D6-39～2D6-42　SUGISAKI, Kenji
2D6-45～2D6-49　OKUMURA, Mitutaka

1:10 PM - 1:30 PM

[2D6-26] Theoretical study on the intermolecular interactions and optical response properties of slipped-stacked molecular crystals composed of open-shell molecules

Oral B

○KISHI, Ryohei; KAMADA, Kenji; KUBO, Takashi; NAKANO, Masayoshi (Grad. Sch. Eng. Sci., Osaka Univ.)

PC Setting Time : 13:00 - 13:10

Keywords:Open-shell systems、Band structure calculations、Nonlinear optical properties、Intermolecular interaction、Density functional theory calculations

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