The 101st CSJ Annual Meeting

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Academic Program [Oral B]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral B

[A19-1pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Fri. Mar 19, 2021 1:00 PM - 3:20 PM Room 19 (Online Meeting)

Chair:Nobuyuki Matubayasi, Yasuteru Shigeta

2:40 PM - 3:00 PM

[A19-1pm-06] Water Oxidation at N-Doped Graphene Oxides - Structure-Property Relationships and PCET Dynamics

○Fabian Weber1,3, Jean Christophe Tremblay2, Annika Bande3 (1. Chuo University, 2. Université de Lorraine, 3. Helmholtz-Zentrum Berlin )

[Lang.] English

Keywords:Molecular Design, Water Oxidation, PCET, Quantum Dynamics