The 100th CSJ Annual Meeting

Presentation information

Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Mon. Mar 23, 2020 9:10 AM - 12:00 PM E2 (K402, Lecture Hall Bldg. [4F])

2E2-02~2E2-05 HIGASHI, Masahiro
2E2-07~2E2-12 ISHIDA, Toyokazu
2E2-14~2E2-18 MATSUI, Toru

11:50 AM - 12:00 PM

[2E2-18] Theoretical study on relationships between structures, open-shell/aromatic natures and optical/magnetic properties of nonplanar conjugated macrocycles involving five-membered rings

Oral A

○KISHI, Ryohei; YAMANE, Masaki; SUGIURA, Ryosuke; SHIMIZU, Yosuke; NAKANO, Masayoshi (Grad. Sch. Eng. Sci., Osaka Univ.)

PC Setting Time: 11:00-11:10

Keywords:non-planar π-conjugated macrocycles, open-shell character, aromaticity, DFT calculations, optical and magnetic properties

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