Development of a combined simulation of SC-AFIR and ESM-RISM methods toward the systematic exploration of elementary reactions and the construction of a reaction path network at solid-liquid interface

[PS2-23] Development of a combined simulation of SC-AFIR and ESM-RISM methods toward the systematic exploration of elementary reactions and the construction of a reaction path network at solid-liquid interface

*Taisuke Hasegawa¹, Satoshi Hagiwara¹, Minoru Otani¹, Satoshi Maeda² (1. University of Tsukuba (Japan), 2. Hokkaido University (Japan))

Keywords:implicit solvation theory, solid-liquid interface, artificial force induced reaction, automated reaction path search

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