IVC-22

Presentation information

Poster Session

Poster Session (12:30-14:00)

[Wed-PO1C] Poster Session (12:30-14:00) Category C

Wed. Sep 14, 2022 12:30 PM - 2:00 PM Poster C (Main Hall)

[Wed-PO1C-34] Theoretical analysis of H/D isotope effect on methane adsorption on Rh(111) surface using combined plane wave and localized basis sets method

*Hiroki Sakagami1, Takayoshi Ishimoto2, Masanori Tachikawa3 (1. Graduate School of Data Science, Yokohama City University (Japan), 2. Graduate School of Advanced Science and Engineering, Hiroshima University (Japan), 3. Graduate School of Nanobioscience, Yokohama City University (Japan))

Keywords:H/D isotope effect, molecular adsorption, metal surfaces, nuclear quantum effects, computational chemistry

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