The 102nd CSJ Annual Meeting

Presentation information

Academic Program [Oral A]

13. Organic Chemistry -Reaction Mechanism, Photochemistry, Electrochemistry- » Oral A

[K6-4pm] 13. Organic Chemistry -Reaction Mechanism, Photochemistry, Electrochemistry-

Sat. Mar 26, 2022 1:40 PM - 3:40 PM K6 (Online Meeting)

Chair: Mio Kondo, Atsuro Takai

1:40 PM - 1:50 PM

[K6-4pm-01] Modulating regioselectivity of 1,3-dipolar cycloaddition by carbon nanotube confinements: A dispersion-corrected density functional theory study

Shuta Fukuura1, Takashi Yumura1 (1. Kyoto Institute of Technology)

[Lang.] Japanese

Keywords:Density functional theory (DFT) calculations, Carbon nanotubes, 1,3-dipolar cycloaddition, Regioselectivity