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Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the P + H → PH reaction

Molpeceres, G., Zaverkin, V., Furuya, K., Aikawa, Y., and Kästner, J.. Astronomy & Astrophysics, (2023)
DOI: 10.1051/0004-6361/202346073

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G. Daiß

G. Wagner

Dr. Guido Reina University of Stuttgart

Dr. Germán Molpeceres de Diego University of Stuttgart

Univ. -Prof. Dr. -Ing. Joachim Groß University of Stuttgart

Replication Data for: Transferable Anisotropic Mie Potential Force Field for AlkanediolsM. Fleck, S. Darouich, N. Hansen, and J. Groß. Dataset, (2024)Related to: Fleck, Maximilian; Darouich, Samir; Hansen, Niels; Gross, Joachim (2024): Transferable Anisotropic Mie Potential Force Field for Alkanediols. In: The Journal of Physical Chemistry B, 128, 4792-4801. doi: 10.1021/acs.jpcb.4c00962.

Other publications of authors with the same name

Neural-network assisted study of nitrogen atom dynamics on amorphous solid water – I. adsorption and desorptionG. Molpeceres, V. Zaverkin, and J. Kästner. Mon. Not. R. Astron. Soc., (2020)Binding energies and sticking coefficients of H₂ on crystalline and amorphous CO iceG. Molpeceres, V. Zaverkin, N. Watanabe, and J. Kästner. Astron. Astrophys., (2021)Gas-phase C_60H_n^+q (n = 0–4, q = 0,1) fullerenes and fulleranes: spectroscopic simulations shed light on cosmic molecular structuresR. Oliveira, G. Molpeceres, R. Montserrat, F. Fantuzzi, A. Rocha, and J. Kästner. Phys. Chem. Chem. Phys., (2023)Processing of hydroxylamine, NH₂OH, an important prebiotic precursor, on interstellar icesG. Molpeceres, V. Rivilla, K. Furuya, J. Kästner, B. Maté, and Y. Aikawa. Mon. Not. R. Astron. Soc., (2023)Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the P + H → PH reactionMolpeceres, G., Zaverkin, V., Furuya, K., Aikawa, Y., and Kästner, J.. Astronomy & Astrophysics, (2023)Hydrogen abstraction reactions in formic and thioformic acid isomers by hydrogen and deuterium atomsMolpeceres, G., Jiménez-Serra, I., Oba, Y., Nguyen, T., Watanabe, N., de la Concepción, J. Garc\'ıa, Maté, B., Oliveira, R., and Kästner, J.. Astron. Astrophys., (2022)Computational Study of the Hydrogenation Sequence of the Phosphorous Atom on Interstellar Dust GrainsG. Molpeceres, and J. Kästner. Astrophys. J., (2021)Adsorption of H₂ on amorphous solid water studied with molecular dynamics simulationsG. Molpeceres, and J. Kästner. Phys. Chem. Chem. Phys., 22 (14): 7552-7563 (2020)Binding energies and sticking coefficients of H2 on crystalline and amorphous CO iceMolpeceres, G., Zaverkin, V., Watanabe, N., and Kästner, J.. A&A, (2021)Desorption of organic molecules from interstellar ices, combining experiments and computer simulations: Acetaldehyde as a case studyMolpeceres, G., Kästner, J., Herrero, V. J., Peláez, R. J., and Maté, B.. Astron. Astrophys., (2022)

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