Theoretical study of Co-C bond dissociation reactions by B<SUB>12</SUB>-TiO<SUB>2</SUB>

Presentation information

Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 10:00 AM - 11:30 AM P (Arena, Gymnasium and Auditorium [1F])

Presentation time：Odd Poster Number 10:00-10:45 / Even Poster Number 10:45-11:30

○IMAMURA, Kenji; SHIOTA, Yoshihito; SHIMAKOSHI, Hisashi; HISAEDA, Yoshio; YOSHIZAWA, Kazunari (IMCE, Kyushu Univ.)

Keywords:B12-TiO2 hybrid catalyst、Dechlorination、SN2 reactions、Transition State、DFT calculation

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