Radical species on interstellar ices: a computational study

WMC Sameera; Naoki Watanabe

doi:10.14862/geochemproc.65.0_137

Abstracts of Annual Meeting of the Geochemical Society of Japan

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

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Host: Abstracts of Annual Meeting of the Geochemical Society of Japan

Radical species on interstellar ices: a computational study

*WMC Sameera, Naoki Watanabe

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Keywords: Astrochemistry, Radical species on ice, binding energy

CONFERENCE PROCEEDINGS FREE ACCESS

Pages 137-

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Abstract

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.

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