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Cited article:

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FAUST – XXIX. OCS line emission: a new method for measuring the luminosity of embedded protostars in binary systems

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Hydrogenation of acetaldehyde on interstellar ice analogs results in limited destruction

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Quantum mechanical investigation on the formation of silicate building blocks on interstellar ice mantles

A Gelli, J Perrero, S Ferrero, J Enrique-Romero, C Ceccarelli, P Ugliengo, N Balucani and A Rimola
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Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation?

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Investigating the Photolysis Mechanism of Propylene Oxide Using DFT and TD-DFT

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Binding Energies of Small Interstellar Molecules on Neutral and Charged Amorphous Solid Water Surfaces

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The Astrophysical Journal 986 (1) 30 (2025)
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First principles potentials for reactions on molecular crystals: modelling the interstellar H + CO reaction

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Energy partitioning in H2 formation on interstellar carbonaceous grains. Insights from ab initio molecular dynamics simulations

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Formation of the glycine isomer glycolamide (NH2C(O)CH2OH) on the surfaces of interstellar ice grains: Insights from atomistic simulations

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Computational prediction for the formation of amides and thioamides in the gas phase interstellar medium

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Frontiers in Chemistry 13 (2025)
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Hydrogenation of HOCO and formation of interstellar CO2: a not so straightforward relation

Germán Molpeceres, Joan Enrique-Romero, Atsuki Ishibashi, Yasuhiro Oba, Hiroshi Hidaka, Thanja Lamberts, Yuri Aikawa and Naoki Watanabe
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Reactivity of chondritic meteorites under H2-rich atmospheres: formation of H2S

V Cabedo, G Pareras, J Allitt, A Rimola, J Llorca, H H P Yiu and M R S McCoustra
Monthly Notices of the Royal Astronomical Society 535 (3) 2714 (2024)
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FAUST XIX. D2CO in the outflow cavities of NGC 1333 IRAS 4A: recovering the physical structure of its original prestellar core

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FAUST

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FAUST

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Single-atom catalysis in space: Computational exploration of Fischer–Tropsch reactions in astrophysical environments

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Quantum mechanical modelling of the grain-surface formation of acetaldehyde on H2O:CO dirty ice surfaces

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Chemistry of NH2OH and its related species in the ISM

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Laboratory Measurement of CH2DOH Line Intensities in the Millimeter-wave Region

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The Astrophysical Journal 957 (1) 4 (2023)
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Quantum Chemical Computations of Gas-phase Glycolaldehyde Deuteration and Constraints on Its Formation Route

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The Astrophysical Journal 941 (2) 196 (2022)
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A train of shocks at 3000-au scale? Exploring the clash of an expanding bubble into the NGC 1333 IRAS 4 region. SOLIS XIV

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Monthly Notices of the Royal Astronomical Society 512 (4) 5214 (2022)
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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, et al.
ACS Earth and Space Chemistry 6 (3) 597 (2022)
https://doi.org/10.1021/acsearthspacechem.1c00357

OMC-2 FIR 4 under the microscope: Shocks, filaments, and a highly collimated jet at 100 au scales

L. Chahine, A. López-Sepulcre, L. Podio, et al.
Astronomy & Astrophysics 667 A6 (2022)
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Methanol Mapping in Cold Cores: Testing Model Predictions*

Anna Punanova, Anton Vasyunin, Paola Caselli, Alexander Howard, Silvia Spezzano, Yancy Shirley, Samantha Scibelli and Jorma Harju
The Astrophysical Journal 927 (2) 213 (2022)
https://doi.org/10.3847/1538-4357/ac4e7d

Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH3

Aurèle Germain, Lorenzo Tinacci, Stefano Pantaleone, Cecilia Ceccarelli and Piero Ugliengo
ACS Earth and Space Chemistry 6 (5) 1286 (2022)
https://doi.org/10.1021/acsearthspacechem.2c00004

Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H2O Ices. A Computational Chemistry Study

Jessica Perrero, Joan Enrique-Romero, Berta Martínez-Bachs, et al.
ACS Earth and Space Chemistry 6 (3) 496 (2022)
https://doi.org/10.1021/acsearthspacechem.1c00369

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

Adsorption of atomic hydrogen as driving vector for solid-gas processes on ices

N Tieppo, F Pauzat, O Parisel and Y Ellinger
Monthly Notices of the Royal Astronomical Society 518 (3) 3820 (2022)
https://doi.org/10.1093/mnras/stac3379

Tracing the Primordial Chemical Life of Glycine: A Review from Quantum Chemical Simulations

Albert Rimola, Nadia Balucani, Cecilia Ceccarelli and Piero Ugliengo
International Journal of Molecular Sciences 23 (8) 4252 (2022)
https://doi.org/10.3390/ijms23084252

Laboratory Measurement of Millimeter-wave Transitions of 13CH2DOH for Astronomical Use

Yuki Ohno, Takahiro Oyama, Akemi Tamanai, Shaoshan Zeng, Yoshimasa Watanabe, Riouhei Nakatani, Takeshi Sakai and Nami Sakai
The Astrophysical Journal 932 (2) 101 (2022)
https://doi.org/10.3847/1538-4357/ac6b9e

Is There Any Linkage between Interstellar Aldehyde and Alcohol?

Suman Kumar Mondal, Prasanta Gorai, Milan Sil, Rana Ghosh, Emmanuel E. Etim, Sandip K. Chakrabarti, Takashi Shimonishi, Naoki Nakatani, Kenji Furuya, Jonathan C. Tan and Ankan Das
The Astrophysical Journal 922 (2) 194 (2021)
https://doi.org/10.3847/1538-4357/ac1f31

Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains

Joan Enrique-Romero, Cecilia Ceccarelli, Albert Rimola, et al.
Astronomy & Astrophysics 655 A9 (2021)
https://doi.org/10.1051/0004-6361/202141531

Pathways for the Formation of Formamide, a Prebiotic Biomonomer: Metal-Ions in Interstellar Gas-Phase Chemistry

Sorakayala Thripati and Raghunath O. Ramabhadran
The Journal of Physical Chemistry A 125 (16) 3457 (2021)
https://doi.org/10.1021/acs.jpca.1c02132

Formation of Interstellar Silicate Dust via Nanocluster Aggregation: Insights From Quantum Chemistry Simulations

Albert Rimola and Stefan T. Bromley
Frontiers in Astronomy and Space Sciences 8 (2021)
https://doi.org/10.3389/fspas.2021.659494

CH3O Radical Binding on Hexagonal Water Ice and Amorphous Solid Water

W. M. C. Sameera, Bethmini Senevirathne, Stefan Andersson, et al.
The Journal of Physical Chemistry A 125 (1) 387 (2021)
https://doi.org/10.1021/acs.jpca.0c09111

Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

Denis Duflot, Céline Toubin and Maurice Monnerville
Frontiers in Astronomy and Space Sciences 8 (2021)
https://doi.org/10.3389/fspas.2021.645243

The Perseus ALMA Chemistry Survey (PEACHES). I. The Complex Organic Molecules in Perseus Embedded Protostars

Yao-Lun Yang, Nami Sakai, Yichen Zhang, Nadia M. Murillo, Ziwei E. Zhang, Aya E. Higuchi, Shaoshan Zeng, Ana López-Sepulcre, Satoshi Yamamoto, Bertrand Lefloch, Mathilde Bouvier, Cecilia Ceccarelli, Tomoya Hirota, Muneaki Imai, Yoko Oya, Takeshi Sakai and Yoshimasa Watanabe
The Astrophysical Journal 910 (1) 20 (2021)
https://doi.org/10.3847/1538-4357/abdfd6

Interaction of HCO+ Cations With Interstellar Negative Grains. Quantum Chemical Investigation and Astrophysical Implications

Albert Rimola, Cecilia Ceccarelli, Nadia Balucani and Piero Ugliengo
Frontiers in Astronomy and Space Sciences 8 (2021)
https://doi.org/10.3389/fspas.2021.655405

Establishing the evolutionary timescales of the massive star formation process through chemistry

G. Sabatini, S. Bovino, A. Giannetti, et al.
Astronomy & Astrophysics 652 A71 (2021)
https://doi.org/10.1051/0004-6361/202140469

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

Chemical Desorption versus Energy Dissipation: Insights from Ab Initio Molecular Dynamics of HCO· Formation

Stefano Pantaleone, Joan Enrique-Romero, Cecilia Ceccarelli, Piero Ugliengo, Nadia Balucani and Albert Rimola
The Astrophysical Journal 897 (1) 56 (2020)
https://doi.org/10.3847/1538-4357/ab8a4b

Computational Surface Modelling of Ices and Minerals of Interstellar Interest—Insights and Perspectives

Albert Rimola, Stefano Ferrero, Aurèle Germain, Marta Corno and Piero Ugliengo
Minerals 11 (1) 26 (2020)
https://doi.org/10.3390/min11010026

Condensation of Atomic Carbon: Possible Routes toward Glycine

Serge A. Krasnokutski, Cornelia Jäger and Thomas Henning
The Astrophysical Journal 889 (1) 67 (2020)
https://doi.org/10.3847/1538-4357/ab60a1

Constraining Cosmic-Ray Ionization Rates and Chemical Timescales in Massive Hot Cores

Christopher J. Barger and Robin T. Garrod
The Astrophysical Journal 888 (1) 38 (2020)
https://doi.org/10.3847/1538-4357/ab5b0d

On the formation of propylene oxide from propylene in space: gas-phase reactions

Enrico Bodo, Giulia Bovolenta, Chloe Simha and Riccardo Spezia
Theoretical Chemistry Accounts 138 (8) (2019)
https://doi.org/10.1007/s00214-019-2485-3

Quantum Mechanical Investigations on the Formation of Complex Organic Molecules on Interstellar Ice Mantles. Review and Perspectives

Lorenzo Zamirri, Piero Ugliengo, Cecilia Ceccarelli and Albert Rimola
ACS Earth and Space Chemistry 3 (8) 1499 (2019)
https://doi.org/10.1021/acsearthspacechem.9b00082

Luminosity outburst chemistry in protoplanetary discs: going beyond standard tracers

Dmitri S Wiebe, Tamara S Molyarova, Vitaly V Akimkin, Eduard I Vorobyov and Dmitry A Semenov
Monthly Notices of the Royal Astronomical Society 485 (2) 1843 (2019)
https://doi.org/10.1093/mnras/stz512

Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study

Joan Enrique-Romero, Albert Rimola, Cecilia Ceccarelli, et al.
ACS Earth and Space Chemistry 3 (10) 2158 (2019)
https://doi.org/10.1021/acsearthspacechem.9b00156

Experimental characterization of the energetics of low-temperature surface reactions

Thomas K. Henning and Serge A. Krasnokutski
Nature Astronomy 3 (6) 568 (2019)
https://doi.org/10.1038/s41550-019-0729-8

Contribution of the density-functional-based tight-binding scheme to the description of water clusters: methods, applications and extension to bulk systems

A. Simon, M. Rapacioli, E. Michoulier, et al.
Molecular Simulation 45 (4-5) 249 (2019)
https://doi.org/10.1080/08927022.2018.1554903

Hydrogenated polycyclic aromatic hydrocarbons (HnPAHs) as catalysts for hydrogenation reactions in the interstellar medium: a quantum chemical model

Ricardo M. Ferullo, Carolina E. Zubieta and Patricia G. Belelli
Physical Chemistry Chemical Physics 21 (22) 12012 (2019)
https://doi.org/10.1039/C9CP02329A

Formation of amines: hydrogenation of nitrile and isonitrile as selective routes in the interstellar medium

T. Nguyen, I. Fourré, C. Favre, et al.
Astronomy & Astrophysics 628 A15 (2019)
https://doi.org/10.1051/0004-6361/201935127

Interstellar dimethyl ether gas-phase formation: a quantum chemistry and kinetics study

Dimitrios Skouteris, Nadia Balucani, Cecilia Ceccarelli, et al.
Monthly Notices of the Royal Astronomical Society 482 (3) 3567 (2019)
https://doi.org/10.1093/mnras/sty2903

Interferometric observations of warm deuterated methanol in the inner regions of low-mass protostars

V. Taquet, E. Bianchi, C. Codella, et al.
Astronomy & Astrophysics 632 A19 (2019)
https://doi.org/10.1051/0004-6361/201936044

Hydrogenation reactions and adsorption : From CO to methanol on a graphene surface

Sabine Morisset, Nathalie Rougeau and Dominique Teillet-Billy
Molecular Astrophysics 14 1 (2019)
https://doi.org/10.1016/j.molap.2019.02.001

The evolution of grain mantles and silicate dust growth at high redshift

Cecilia Ceccarelli, Serena Viti, Nadia Balucani and Vianney Taquet
Monthly Notices of the Royal Astronomical Society 476 (1) 1371 (2018)
https://doi.org/10.1093/mnras/sty313

Hydrogen transfer reactions of interstellar complex organic molecules

S Álvarez-Barcia, P Russ, J Kästner and T Lamberts
Monthly Notices of the Royal Astronomical Society 479 (2) 2007 (2018)
https://doi.org/10.1093/mnras/sty1478

Astrochemical evolution along star formation: overview of the IRAM Large Program ASAI

Bertrand Lefloch, R Bachiller, C Ceccarelli, et al.
Monthly Notices of the Royal Astronomical Society 477 (4) 4792 (2018)
https://doi.org/10.1093/mnras/sty937

A theoretical investigation of the reaction between the amidogen, NH, and the ethyl, C2H5, radicals: a possible gas-phase formation route of interstellar and planetary ethanimine

Nadia Balucani, Dimitrios Skouteris, Cecilia Ceccarelli, et al.
Molecular Astrophysics 13 30 (2018)
https://doi.org/10.1016/j.molap.2018.10.001

First Detection of the Simplest Organic Acid in a Protoplanetary Disk*

Cécile Favre, Davide Fedele, Dmitry Semenov, Sergey Parfenov, Claudio Codella, Cecilia Ceccarelli, Edwin A. Bergin, Edwige Chapillon, Leonardo Testi, Franck Hersant, Bertrand Lefloch, Francesco Fontani, Geoffrey A. Blake, L. Ilsedore Cleeves, Chunhua Qi, Kamber R. Schwarz and Vianney Taquet
The Astrophysical Journal Letters 862 (1) L2 (2018)
https://doi.org/10.3847/2041-8213/aad046

Seeds of Life in Space (SOLIS). III. Zooming Into the Methanol Peak of the Prestellar Core L1544*

Anna Punanova, Paola Caselli, Siyi Feng, Ana Chacón-Tanarro, Cecilia Ceccarelli, Roberto Neri, Francesco Fontani, Izaskun Jiménez-Serra, Charlotte Vastel, Luca Bizzocchi, Andy Pon, Anton I. Vasyunin, Silvia Spezzano, Pierre Hily-Blant, Leonardo Testi, Serena Viti, Satoshi Yamamoto, Felipe Alves, Rafael Bachiller, Nadia Balucani, Eleonora Bianchi, Sandrine Bottinelli, Emmanuel Caux, Rumpa Choudhury, Claudio Codella, et al.
The Astrophysical Journal 855 (2) 112 (2018)
https://doi.org/10.3847/1538-4357/aaad09

Theoretical study of HNCO formation from atomic nitrogen and carbon monoxide in the presence of water

Pierre Mignon, Abdul-Rahman Allouche and Marie-Christine Bacchus-Montabonel
Chemical Physics 488-489 28 (2017)
https://doi.org/10.1016/j.chemphys.2017.03.008

Molecular Dynamics Study of the Collision-Induced Reaction of H with CO on Small Water Clusters

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The Journal of Physical Chemistry A 121 (49) 9485 (2017)
https://doi.org/10.1021/acs.jpca.7b09217