DFT investigations on the reaction mechanisms in photosynthetic oxygen evolution
||DFT investigations on the reaction mechanisms in photosynthetic oxygen evolution|
||SNIC Small Compute|
||Yu Guo <email@example.com>|
||Kungliga Tekniska högskolan|
||2018-10-18 – 2020-11-01|
Photosynthetic water oxidation and oxygen evolution are fundamental biological processes in nature. Theoretical and computational approaches are very important to elucidate the inherent mechanisms. Based on density functional theory as the tool, systematic investigations are about to be carried out on the mechanism of O-O bond formation.