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New measurement of the diffusion of carbon dioxide on non-porous amorphous solid water
Jiao He, Paula Caroline Pérez Rickert, Tushar Suhasaria, Orianne Sohier, Tia Bäcker, Dimitra Demertzi, Gianfranco Vidali and Thomas K. Henning Molecular Physics 122(1-2) (2024) https://doi.org/10.1080/00268976.2023.2176181
Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments
Jessica Perrero, Julie Vitorino, Emanuele Congiu, Piero Ugliengo, Albert Rimola and François Dulieu Physical Chemistry Chemical Physics 26(26) 18205 (2024) https://doi.org/10.1039/D4CP01934B
Laboratory and Computational Studies of Interstellar Ices
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
Joan Enrique-Romero, Albert Rimola, Cecilia Ceccarelli, Piero Ugliengo, Nadia Balucani and Dimitrios Skouteris 59 57 (2023) https://doi.org/10.1007/978-3-031-29003-9_6
The Formation of Imines and Nitriles during VUV Photoirradiation of NH3:C2H
x
Ice Mixtures
Theoretical modelling of the adsorption of neutral and charged sulphur-bearing species on to olivine nanoclusters
Jessica Perrero, Leire Beitia-Antero, Asunción Fuente, Piero Ugliengo and Albert Rimola Monthly Notices of the Royal Astronomical Society 527(4) 10697 (2023) https://doi.org/10.1093/mnras/stad3896
Neural-network assisted study of nitrogen atom dynamics on amorphous solid water – II. Diffusion
Viktor Zaverkin, Germán Molpeceres and Johannes Kästner Monthly Notices of the Royal Astronomical Society 510(2) 3063 (2022) https://doi.org/10.1093/mnras/stab3631
Ammonia, carbon dioxide, and the non-detection of the 2152 cm−1 CO band
Jiao He, Giulia Perotti, Shahnewaz M. Emtiaz, Francis E. Toriello, Adwin Boogert, Thomas Henning and Gianfranco Vidali Astronomy & Astrophysics 668 A76 (2022) https://doi.org/10.1051/0004-6361/202244506
Quantum Mechanical Simulations of the Radical–Radical Chemistry on Icy Surfaces
Joan Enrique-Romero, Albert Rimola, Cecilia Ceccarelli, Piero Ugliengo, Nadia Balucani and Dimitrios Skouteris The Astrophysical Journal Supplement Series 259(2) 39 (2022) https://doi.org/10.3847/1538-4365/ac480e
Comets in Context: Comparing Comet Compositions with Protosolar Nebula Models
Karen Willacy, Neal Turner, Boncho Bonev, Erika Gibb, Neil Dello Russo, Michael DiSanti, Ronald J. Vervack Jr. and Nathan X. Roth The Astrophysical Journal 931(2) 164 (2022) https://doi.org/10.3847/1538-4357/ac67e3
Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles: A Quantum Mechanical Investigation
Jessica Perrero, Joan Enrique-Romero, Stefano Ferrero, Cecilia Ceccarelli, Linda Podio, Claudio Codella, Albert Rimola and Piero Ugliengo The Astrophysical Journal 938(2) 158 (2022) https://doi.org/10.3847/1538-4357/ac9278
Computational Estimation of the Binding Energies of PO
x
and HPO
x
(x = 2, 3) Species
Thermal Desorption of Interstellar Ices: A Review on the Controlling Parameters and Their Implications from Snowlines to Chemical Complexity
Marco Minissale, Yuri Aikawa, Edwin Bergin, Mathieu Bertin, Wendy A. Brown, Stephanie Cazaux, Steven B. Charnley, Audrey Coutens, Herma M. Cuppen, Victoria Guzman, Harold Linnartz, Martin R. S. McCoustra, Albert Rimola, Johanna G.M. Schrauwen, Celine Toubin, Piero Ugliengo, Naoki Watanabe, Valentine Wakelam and Francois Dulieu ACS Earth and Space Chemistry 6(3) 597 (2022) https://doi.org/10.1021/acsearthspacechem.1c00357
Formation of Complex Organic Molecules in Hot Molecular Cores through Nondiffusive Grain-surface and Ice-mantle Chemistry
Robin T. Garrod, Miwha Jin, Kayla A. Matis, Dylan Jones, Eric R. Willis and Eric Herbst The Astrophysical Journal Supplement Series 259(1) 1 (2022) https://doi.org/10.3847/1538-4365/ac3131
H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O- and D2O-ice Ih(0 0 0 1) basal surfaces based on the combined plane wave and localized basis set method
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains
Joan Enrique-Romero, Cecilia Ceccarelli, Albert Rimola, Dimitrios Skouteris, Nadia Balucani and Piero Ugliengo Astronomy & Astrophysics 655 A9 (2021) https://doi.org/10.1051/0004-6361/202141531
The Effect of Cosmic Rays on Cometary Nuclei. II. Impact on Ice Composition and Structure
R. Maggiolo, G. Gronoff, G. Cessateur, W. B. Moore, V. S. Airapetian, J. De Keyser, F. Dhooghe, A. Gibbons, H. Gunell, C. J. Mertens, M. Rubin and S. Hosseini The Astrophysical Journal 901(2) 136 (2020) https://doi.org/10.3847/1538-4357/abacc3
Binding Energies of Interstellar Molecules on Crystalline and Amorphous Models of Water Ice by Ab Initio Calculations
Stefano Ferrero, Lorenzo Zamirri, Cecilia Ceccarelli, Arezu Witzel, Albert Rimola and Piero Ugliengo The Astrophysical Journal 904(1) 11 (2020) https://doi.org/10.3847/1538-4357/abb953
Surface Science Investigations of Icy Mantle Growth on Interstellar Dust Grains in Cooling Environments
Demian Marchione, Alexander Rosu-Finsen, Skandar Taj, Jérôme Lasne, Ali G. M. Abdulgalil, John D. Thrower, Victoria L. Frankland, Mark P. Collings and Martin R. S. McCoustra ACS Earth and Space Chemistry 3(9) 1915 (2019) https://doi.org/10.1021/acsearthspacechem.9b00052
A Three-phase Approach to Grain Surface Chemistry in Protoplanetary Disks: Gas, Ice Surfaces, and Ice Mantles of Dust Grains
Chemical modelling of dust–gas chemistry within AGB outflows – I. Effect on the gas-phase chemistry
M Van de Sande, C Walsh, T P Mangan and L Decin Monthly Notices of the Royal Astronomical Society 490(2) 2023 (2019) https://doi.org/10.1093/mnras/stz2702
Molecular Oxygen Formation in Interstellar Ices Does Not Require Tunneling
Stéphanie Cazaux, Jean Baptiste Bossa, Rafael Martin-Doménech, et al. Astrophysics and Space Science Library, Laboratory Astrophysics 451 95 (2018) https://doi.org/10.1007/978-3-319-90020-9_7
Measurements of Diffusion of Volatiles in Amorphous Solid Water: Application to Interstellar Medium Environments
An Approach to Estimate the Binding Energy of Interstellar Species
Ankan Das, Milan Sil, Prasanta Gorai, Sandip K. Chakrabarti and J. C. Loison The Astrophysical Journal Supplement Series 237(1) 9 (2018) https://doi.org/10.3847/1538-4365/aac886
Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations
S. Cazaux, R. Martín-Doménech, Y. J. Chen, G. M. Muñoz Caro and C. González Díaz The Astrophysical Journal 849(2) 80 (2017) https://doi.org/10.3847/1538-4357/aa8b0c
Long-Time Scale Simulations of Tunneling-Assisted Diffusion of Hydrogen on Ice Surfaces at Low Temperature
On the reservoir of sulphur in dark clouds: chemistry and elemental abundance reconciled
Thomas H. G. Vidal, Jean-Christophe Loison, Adam Yassin Jaziri, et al. Monthly Notices of the Royal Astronomical Society 469(1) 435 (2017) https://doi.org/10.1093/mnras/stx828
Cometary ices in forming protoplanetary disc midplanes
Maria N. Drozdovskaya, Catherine Walsh, Ewine F. van Dishoeck, et al. Monthly Notices of the Royal Astronomical Society 462(1) 977 (2016) https://doi.org/10.1093/mnras/stw1632
Direct measurement of desorption and diffusion energies of O and N atoms physisorbed on amorphous surfaces
How chemistry influences cloud structure, star formation, and the IMF
S. Hocuk, S. Cazaux, M. Spaans and P. Caselli Monthly Notices of the Royal Astronomical Society 456(3) 2586 (2016) https://doi.org/10.1093/mnras/stv2817
A primordial origin for molecular oxygen in comets: a chemical kinetics study of the formation and survival of O2ice from clouds to discs
V. Taquet, K. Furuya, C. Walsh and E. F. van Dishoeck Monthly Notices of the Royal Astronomical Society 462(Suppl 1) S99 (2016) https://doi.org/10.1093/mnras/stw2176
Long-Time-Scale Simulations of H2O Admolecule Diffusion on Ice Ih(0001) Surfaces
Andreas Pedersen, Leendertjan Karssemeijer, Herma M. Cuppen and Hannes Jónsson The Journal of Physical Chemistry C 119(29) 16528 (2015) https://doi.org/10.1021/acs.jpcc.5b01629
Diffusion of molecules in the bulk of a low density amorphous ice from molecular dynamics simulations
The complex chemistry of outflow cavity walls exposed: the case of low-mass protostars
Maria N. Drozdovskaya, Catherine Walsh, Ruud Visser, Daniel Harsono and Ewine F. van Dishoeck Monthly Notices of the Royal Astronomical Society 451(4) 3836 (2015) https://doi.org/10.1093/mnras/stv1177