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Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation?
Vittorio Bariosco, Lorenzo Tinacci, Stefano Pantaleone, Cecilia Ceccarelli, Albert Rimola and Piero Ugliengo Monthly Notices of the Royal Astronomical Society 539(1) 82 (2025) https://doi.org/10.1093/mnras/staf476
Enhanced formation of interstellar complex organic molecules on carbon monoxide ice
Organic Chemistry in the H2-bearing, CO-rich Interstellar Ice Layer at Temperatures Relevant to Dense Cloud Interiors
Rafael Martín-Doménech, Alexander DelFranco, Karin I. Öberg and Mahesh Rajappan The Astrophysical Journal 962(2) 107 (2024) https://doi.org/10.3847/1538-4357/ad187e
Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials
Performance of two complementary machine-learned potentials in modelling chemically complex systems
Konstantin Gubaev, Viktor Zaverkin, Prashanth Srinivasan, Andrew Ian Duff, Johannes Kästner and Blazej Grabowski npj Computational Materials 9(1) (2023) https://doi.org/10.1038/s41524-023-01073-w
Floating in Space: How to Treat the Weak Interaction between CO Molecules in Interstellar Ices
Brian C. Ferrari, Germán Molpeceres, Johannes Kästner, Yuri Aikawa, Marc van Hemert, Jörg Meyer and Thanja Lamberts ACS Earth and Space Chemistry 7(7) 1423 (2023) https://doi.org/10.1021/acsearthspacechem.3c00086
Thermally Averaged Magnetic Anisotropy Tensors via Machine Learning Based on Gaussian Moments
Viktor Zaverkin, Julia Netz, Fabian Zills, Andreas Köhn and Johannes Kästner Journal of Chemical Theory and Computation 18(1) 1 (2022) https://doi.org/10.1021/acs.jctc.1c00853
Desorption of organic molecules from interstellar ices, combining experiments and computer simulations: Acetaldehyde as a case study