Radical species on interstellar ices: a computational study

WMC Sameera; Naoki Watanabe

doi:10.14862/geochemproc.65.0_137

2018年度日本地球化学会第65回年会講演要旨集

DOI https://doi.org/10.14862/geochemproc.65.0_137

会議情報

主催: 日本地球化学会年会要旨集

G07　宇宙化学・惑星化学

Radical species on interstellar ices: a computational study

*WMC Sameera, Naoki Watanabe

著者情報

キーワード: Astrochemistry, Radical species on ice, binding energy

会議録・要旨集フリー

p. 137-

詳細

抄録

We present a simple and accurate approach, specifically a quantum mechanics/molecular mechanics (QM/MM) method to calculate binding energies of radical species on water ice and their reactions. Using this method, we rationalized binding energy and binding preference of OH, HCO, CH3, CH3O, and CH2OH radicals on water ice.

責任著者(Corresponding author)

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