Quantum Chemistry on Interstellar Grains

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

Data Management Plan

Report on the Open Research Data to be managed and delivered by the project.

Publicaciones

Mechanical properties of minerals in lunar and <scp>HED</scp> meteorites from nanoindentation testing: Implications for space mining

Autores: Eloy Peña‐Asensio, Josep M. Trigo‐Rodríguez, Jordi Sort, Jordi Ibáñez-Insa, Albert Rimola
Publicado en: Meteoritics & Planetary Science, Edición 59, 2024, Página(s) 1297-1313, ISSN 1086-9379
Editor: Meteoritical Society
DOI: 10.1111/maps.14148

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

Autores: Joan Enrique-Romero; Cecilia Ceccarelli; Albert Rimola; Dimitrios Skouteris; Nadia Balucani; Piero Ugliengo
Publicado en: Astronomy & Astrophysics, Edición volume 655, 2021, ISSN 1432-0746
Editor: EDP Sciences
DOI: 10.1051/0004-6361/202141531

Hot Sulfur on the Rocks: The Reaction of Electronically Excited Sulfur Atoms with Water in an Ice-Surface Model

Autores: Gabriella Di Genova, Jessica Perrero, Marzio Rosi, Cecilia Ceccarelli, Albert Rimola, Nadia Balucani
Publicado en: ACS Earth and Space Chemistry, Edición 9, 2025, Página(s) 844-855, ISSN 2472-3452
Editor: American Chemical Society (ACS)
DOI: 10.1021/acsearthspacechem.4c00351

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

Autores: Léana Jubert, Berta Martínez-Bachs, Gerard Pareras, Albert Rimola
Publicado en: Physical Chemistry Chemical Physics, Edición 27, 2025, Página(s) 15385-15397, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d5cp01585e

Unlocking the surface chemistry of ionic minerals: a high-throughput pipeline for modeling realistic interfaces

Autores: Eric Mates-Torres, Albert Rimola
Publicado en: Journal of Applied Crystallography, Edición 57, 2024, Página(s) 503-508, ISSN 1600-5767
Editor: Wiley online
DOI: 10.1107/s1600576724001286

Where Does the Energy Go during the Interstellar NH3 Formation on Water Ice? A Computational Study

Autores: Stefano Ferrero, Stefano Pantaleone, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe, and Albert Rimola
Publicado en: The Astrophysical Journal, Edición Volume 944, 2023, ISSN 1538-4357
Editor: IOP Publishing
DOI: 10.3847/1538-4357/acae8e

Formation of Complex Organic Molecules on Interstellar CO Ices? Insights from Computational Chemistry Simulations

Autores: Stefano Ferrero , Cecilia Ceccarelli , Piero Ugliengo , Mariona Sodupe and Albert Rimola
Publicado en: The Astrophysical Journal, Edición volume 951, 2023, ISSN 1538-4357
Editor: IOP Science
DOI: 10.3847/1538-4357/acd192

Comprehensive Atomistic Simulations of Fischer–Tropsch in Outer Space: Astrocatalysis by Fe13–Supported Nanoclusters on SiO2

Autores: Gerard Pareras, Victoria Cabedo, Martin McCoustra, Albert Rimola
Publicado en: The Journal of Physical Chemistry C, Edición 129, 2025, Página(s) 10069-10082, ISSN 1932-7447
Editor: American Chemical Society
DOI: 10.1021/acs.jpcc.5c01472

Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry

Autores: Niccolò Bancone, Stefano Pantaleone, Piero Ugliengo, Albert Rimola, Marta Corno
Publicado en: ACS Earth and Space Chemistry, Edición 9, 2025, Página(s) 303-313, ISSN 2472-3452
Editor: ACS PUBLICATIONS
DOI: 10.1021/acsearthspacechem.4c00282

Atomistic Modeling of Methyl Formate and Glycolaldehyde Formation on Interstellar Dirty Ice Mantles via a “Radical + Ice” Mechanism

Autores: Jessica Perrero, Stefano Pantaleone, Piero Ugliengo, Albert Rimola
Publicado en: ChemPlusChem, Edición 90, 2025, ISSN 2192-6506
Editor: Wiley-VCH Verlag
DOI: 10.1002/cplu.202500324

From impact refugees to deterritorialized states: Foresighting extreme legal-policy cases in asteroid impact scenarios

Autores: Elisa Simó; Eloy Peña-Asensio
Publicado en: Acta Astronautica, Edición Vol. 192, 2022, ISSN 1879-2030
Editor: Academy of Astronautics
DOI: 10.1016/j.actaastro.2021.12.015

Revealing SO2 and CO2 adsorption features on forsterite via IR spectroscopy and automated computational approaches

Autores: Eric Mates-Torres, Guillermo Escolano Casado, Lorenzo Mino, Nadia Balucani, Piero Ugliengo, Albert Rimola
Publicado en: Physical Chemistry Chemical Physics, Edición 27, 2025, Página(s) 13124-13134, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d5cp01699a

Reactivity of chondritic meteorites under H2-rich atmospheres: formation of H2S

Autores: V Cabedo, G Pareras, J Allitt, A Rimola, J Llorca, H H P Yiu, M R S McCoustra
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición 535, 2024, Página(s) 2714-2723, ISSN 0035-8711
Editor: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stae2520

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

Autores: Jessica Perrero; Joan Enrique-Romero; Berta Martínez-Bachs; Cecilia Ceccarelli; Nadia Balucani; Piero Ugliengo; Albert Rimola
Publicado en: ACS Earth and Space Chemistry journal, Edición 6(3), 2022, ISSN 2472-3452
Editor: AMERICAN CHEMICAL SOCIETY
DOI: 10.1021/acsearthspacechem.1c00369

Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates

Autores: Stefano Pantaleone, Marta Corno, Albert Rimola, Nadia Balucani, Piero Ugliengo
Publicado en: ACS Earth and Space Chemistry, Edición 7, 2023, Página(s) 2050-2061, ISSN 2472-3452
Editor: ACS Publications
DOI: 10.1021/acsearthspacechem.3c00167

Single-atom iron on silicon carbide surfaces as catalyst of Fischer-Tropsch-type reactions in astrophysical environments

Autores: Gerard Pareras, Albert Rimola
Publicado en: Frontiers in Astronomy and Space Sciences, Edición 12, 2025, ISSN 2296-987X
Editor: Frontiers Media SA
DOI: 10.3389/fspas.2025.1605553

Binding Energies of Interstellar Complex Organic Molecules on Water Ice Surfaces: A Quantum Chemical Investigation

Autores: Harjasnoor Kakkar, Berta Martínez-Bachs, Cecilia Ceccarelli, Piero Ugliengo, Albert Rimola
Publicado en: The Astrophysical Journal, Edición 993, 2025, Página(s) 184, ISSN 0004-637X
Editor: University of Chicago Press
DOI: 10.3847/1538-4357/ae064a

Does Processing or Formation of Water Ice Mantles Affect the Capacity of Nanosilicates to Be the Source of Anomalous Microwave Emission?

Autores: Joan Mariñoso Guiu; Stefano Ferrero; Macià Escatllar; Albert Rimola and Stefan T. Bromley
Publicado en: Frontiers in Astronomy and Space sciences, Edición Vol. 8, 2021, ISSN 2296-987X
Editor: Frontiers media
DOI: 10.3389/fspas.2021.676548

Deep machine learning for meteor monitoring: Advances with transfer learning and gradient-weighted class activation mapping

Autores: Eloy Peña-Asensio, Josep M. Trigo-Rodríguez, Pau Grèbol-Tomàs, David Regordosa-Avellana, Albert Rimola
Publicado en: Planetary and Space Science, Edición 238, 2024, Página(s) 105802, ISSN 0032-0633
Editor: Elsevier BV
DOI: 10.1016/j.pss.2023.105802

Formation of Interstellar Complex Organic Molecules on Water-rich Ices Triggered by Atomic Carbon Freezing

Autores: Stefano Ferrero, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe, Albert Rimola
Publicado en: The Astrophysical Journal, Edición 960, 2024, Página(s) 22, ISSN 0004-637X
Editor: University of Chicago Press
DOI: 10.3847/1538-4357/ad0547

Low-energy glycine formation and spectral masking in star-forming regions

Autores: Eric Mates-Torres, Albert Rimola
Publicado en: Communications Chemistry, 2026, ISSN 2399-3669
Editor: Springer Science and Business Media LLC
DOI: 10.1038/s42004-025-01870-y

Water Interaction with Fe2NiP Schreibersite (110) Surface: a Quantum Mechanical Atomistic Perspective

Autores: Marta Corno, Albert Rimola, Nadia Balucani and Piero Ugliengo
Publicado en: The Journal of Physical Chemistry C, Edición vol 126, 2022, Página(s) 2243–2252, ISSN 1932-7447
Editor: American Chemical Society
DOI: 10.1021/acs.jpcc.1c09947

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

Autores: Albert Rimola; Stefano Ferrero; Aurèle Germain; Marta Corno; Piero Ugliengo
Publicado en: Minerals, Edición Vol 11, 2020, Página(s) 26, ISSN 2075-163X
Editor: MDPI
DOI: 10.3390/min11010026

Delivery of DART Impact Ejecta to Mars and Earth: Opportunity for Meteor Observations

Autores: Eloy Peña-Asensio, Michael Küppers, Josep M. Trigo-Rodríguez, Albert Rimola
Publicado en: The Planetary Science Journal, Edición 5, 2024, Página(s) 206, ISSN 2632-3338
Editor: IOP Publishing
DOI: 10.3847/psj/ad6b0f

The binding energy distribution of H2S: why it is not the major sulphur reservoir of the interstellar ices

Autores: Vittorio Bariosco, Stefano Pantaleone, Cecilia Ceccarelli, Albert Rimola, Nadia Balucani, Marta Corno, Piero Ugliengo
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición 531, 2024, Página(s) 1371-1384, ISSN 0035-8711
Editor: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stae1210

Synthesis of urea on the surface of interstellar water ice clusters. A quantum chemical study

Autores: J. Perrero, A. Rimola
Publicado en: Icarus, Edición 410, 2024, Página(s) 115848, ISSN 0019-1035
Editor: Academic Press
DOI: 10.1016/j.icarus.2023.115848

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

Autores: Piero Ugliengo; Albert Rimola; Nadia Balucani; Cecilia Ceccarelli
Publicado en: International Journal of Molecular Sciences, Edición 23, 2022, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23084252

Mapping adsorption on ionic surfaces via a pairwise potential-based high-throughput approach

Autores: Eric Mates-Torres, Piero Ugliengo, Albert Rimola
Publicado en: Journal of Applied Crystallography, Edición 58, 2025, Página(s) 1462-1468, ISSN 1600-5767
Editor: International Union of Crystallography (IUCr)
DOI: 10.1107/s1600576725005230

Is cosmic dust porous?

Autores: Alexey Potapov, Martin R. S. McCoustra, Ryo Tazaki, Edwin A. Bergin, Stefan T. Bromley, Robin T. Garrod, Albert Rimola
Publicado en: The Astronomy and Astrophysics Review, Edición 33, 2026, ISSN 0935-4956
Editor: Springer Verlag
DOI: 10.1007/s00159-025-00164-5

Gas-Phase vs. Grain-Surface Formation of Interstellar Complex Organic Molecules: A Comprehensive Quantum-Chemical Study

Autores: Berta Martínez-Bachs, Albert Rimola
Publicado en: International Journal of Molecular Sciences, Edición 24, 2023, Página(s) 16824, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms242316824

Single-atom catalysis in space

Autores: G. Pareras, V. Cabedo, M. McCoustra, A. Rimola
Publicado en: Astronomy & Astrophysics, Edición 687, 2024, Página(s) A230, ISSN 0004-6361
Editor: Springer Verlag
DOI: 10.1051/0004-6361/202449378

H 2 Formation on Interstellar Grains and the Fate of Reaction Energy

Autores: Stefano Pantaleone; Joan Enrique-Romero; Cecilia Ceccarelli; Stefano Ferrero; Nadia Balucani; Albert Rimola; Piero Ugliengo
Publicado en: The Astrophysical journal, Edición volume 917, 2021, ISSN 1538-4357
Editor: IOP Publishing
DOI: 10.3847/1538-4357/ac0142

Predicting accurate binding energies and vibrational spectroscopic features of interstellar icy species. A quantum mechanical study

Autores: Alicja Bulik, Berta Martínez-Bachs, Niccolò Bancone, Eric Mates-Torres, Marta Corno, Piero Ugliengo, Albert Rimola
Publicado en: Physical Chemistry Chemical Physics, Edición 27, 2025, Página(s) 11907-11919, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d5cp01151e

Quantum Mechanical Simulations of the Radical-Radical Chemistry on Icy Surfaces

Autores: Joan Enrique-Romero; Albert Rimola; Cecilia Ceccarelli; Piero Ugliengo; Nadia Balucani; Dimitrios Skouteris
Publicado en: The Astrophysical journal Suplement Series, Edición 259, 2022, ISSN 1538-4357
Editor: IOP Publishing
DOI: 10.3847/1538-4365/ac480e

Using fireball networks to track more frequent reentries: Falcon 9 upper-stage orbit determination from video recordings

Autores: Eloy Peña-Asensio, Josep M. Trigo-Rodríguez, Marco Langbroek, Albert Rimola, Antonio J. Robles
Publicado en: Astrodynamics, Edición 5, 2024, Página(s) 347-358, ISSN 2522-008X
Editor: Springer Nautre
DOI: 10.1007/s42064-021-0112-2

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

Autores: Albert Rimola and Stefan T. Bromley
Publicado en: Frontiers in Astronomy and Space sciences, 2021, ISSN 2296-987X
Editor: Frontiers media
DOI: 10.3389/fspas.2021.659494

The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles

Autores: S. Pantaleone, L. Tinacci, V. Bariosco, A. Rimola, C. Ceccarelli, P. Ugliengo
Publicado en: The Journal of Chemical Physics, Edición 163, 2025, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0266978

The Prebiotic Pathway from P-Bearing Iron Meteorites to Phosphates by DFT Modeling

Autores: Stefano Pantaleone, Marta Corno, Albert Rimola, Nadia Balucani, Piero Ugliengo
Publicado en: ACS Earth and Space Chemistry, Edición 9, 2025, Página(s) 211-216, ISSN 2472-3452
Editor: ACS publications
DOI: 10.1021/acsearthspacechem.4c00321

Formation of Methanol via Fischer‐Tropsch Catalysis by Cosmic Iron Sulphide

Autores: Berta Martinez‐Bachs, Alexia Anguera‐Gonzalez, Gerard Pareras, Albert Rimola
Publicado en: ChemPhysChem, Edición 25, 2024, ISSN 1439-4235
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.202400272

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

Autores: A Gelli, J Perrero, S Ferrero, J Enrique-Romero, C Ceccarelli, P Ugliengo, N Balucani, A Rimola
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición 541, 2025, Página(s) 3963-3976, ISSN 0035-8711
Editor: Blackwell Publishing Inc.
DOI: 10.1093/mnras/staf1191

Water formation on interstellar silicates: the role of Fe2+/H2 interactions in the O + H2 → H2O reaction

Autores: Albert Rimola; Christian Domínguez Dalmases; Marc Serra-Peralta
Publicado en: Physical Chemistry Chemical Physics, Edición 46, 2022, ISSN 1463-9084
Editor: Royal society of Chemistry
DOI: 10.1039/d2cp04051d

Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments

Autores: Jessica Perrero, Julie Vitorino, Emanuele Congiu, Piero Ugliengo, Albert Rimola, François Dulieu
Publicado en: Physical Chemistry Chemical Physics, Edición 26, 2024, Página(s) 18205-18222, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d4cp01934b

Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN

Autores: Niccolò Bancone, Stefano Pantaleone, Gerard Pareras, Piero Ugliengo, Albert Rimola, Marta Corno
Publicado en: ACS Earth and Space Chemistry, Edición 9, 2025, Página(s) 2567-2578, ISSN 2472-3452
Editor: American Chemical Society (ACS)
DOI: 10.1021/acsearthspacechem.5c00166

Accurate 3D fireball trajectory and orbit calculation using the 3D-firetoc automatic Python code

Autores: E. Peña-Asensio; E. Peña-Asensio; Josep M. Trigo-Rodríguez; Maria Gritsevich; Maria Gritsevich; Albert Rimola
Publicado en: Monthly Notices R. Astron. Soc., Edición volume 504, 2021, Página(s) 4829–4840, ISSN 1365-2966
Editor: Oxford university press
DOI: 10.1093/mnras/stab999

Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles: A Quantum Mechanical

Autores: Jessica Perrero, et al
Publicado en: The Astrophysical journal, Edición Volume 938, 2022, ISSN 1538-4357
Editor: IOP publishing
DOI: 10.3847/1538-4357/ac9278

Acetaldehyde binding energies: a coupled experimental and theoretical study

Autores: S Ferrero, F Grieco, A-S Ibrahim Mohamed, F Dulieu, A Rimola, C Ceccarelli, C Nervi, M Minissale, P Ugliengo
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición Volume 516, 2023, ISSN 1365-2966
Editor: The Royal Astronomical society
DOI: 10.1093/mnras/stac2358

Binding Energies and Vibrational Spectral Features of S n Species on Amorphous Water-ice Mantles: A Quantum Mechanical Study

Autores: Jessica Perrero, Leire Beitia-Antero, Asunción Fuente, Piero Ugliengo, Albert Rimola
Publicado en: The Astrophysical Journal, Edición 971, 2024, Página(s) 36, ISSN 0004-637X
Editor: University of Chicago Press
DOI: 10.3847/1538-4357/ad5548

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

Autores: Jessica Perrero, Piero Ugliengo, Cecilia Ceccarelli, Albert Rimola
Publicado en: Monthly Notices R. Astron. Soc., 2023, ISSN 1365-2966
Editor: The Royal Astronomical Society
DOI: 10.48550/arxiv.2308.06492

Olivine-catalyzed glycolaldehyde and sugar synthesis under aqueous conditions: Application to prebiotic chemistry

Autores: Vassilissa Vinogradoff, Vanessa Leyva, Eric Mates-Torres, Raphael Pepino, Grégoire Danger, Albert Rimola, Lauryane Cazals, Coline Serra, Robert Pascal, Cornelia Meinert
Publicado en: Earth and Planetary Science Letters, Edición 626, 2024, Página(s) 118558, ISSN 0012-821X
Editor: Elsevier BV
DOI: 10.1016/j.epsl.2023.118558

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

Autores: G. Pareras, V. Cabedo, M. McCoustra, A. Rimola
Publicado en: Astronomy & Astrophysics, Edición 680, 2023, Página(s) A57, ISSN 0004-6361
Editor: Springer Verlag
DOI: 10.1051/0004-6361/202347877

Oort cloud perturbations as a source of hyperbolic Earth impactors

Autores: Eloy Peña-Asensio, Jaakko Visuri, Josep M. Trigo-Rodríguez, Hector Socas-Navarro, Maria Gritsevich, Markku Siljama, Albert Rimola
Publicado en: Icarus, Edición 408, 2024, Página(s) 115844, ISSN 0019-1035
Editor: Academic Press
DOI: 10.1016/j.icarus.2023.115844

Orbital characterization of superbolides observed from space: dynamical association with near-Earth objects, meteoroid streams and identification of hyperbolic meteoroids

Autores: Eloy Peña-Asensio; Albert Rimola; Josep M. Trigo-Rodríguez
Publicado en: The Astronomical Journal, Edición Vol. 164, 2022, ISSN 1538-3881
Editor: IOP Publishing
DOI: 10.3847/1538-3881/ac75d2

Identifying meteorite droppers among the population of bright 'sporadic' bolides imaged by the Spanish Meteor Network during the spring of 2022

Autores: E Peña-Asensio; J M Trigo-Rodríguez; A Rimola; M Corretgé-Gilart; D Koschny
Publicado en: Monthly Notices R.Astron. Soc, 2023, ISSN 1365-2966
Editor: The Royal Astronomical Society
DOI: 10.48550/arxiv.2301.03515

Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling

Autores: Niccolò Bancone, Rosangela Santalucia, Stefano Pantaleone, Piero Ugliengo, Lorenzo Mino, Albert Rimola, Marta Corno
Publicado en: The Journal of Physical Chemistry C, Edición 128, 2024, Página(s) 15171-15178, ISSN 1932-7447
Editor: American Chemical Society
DOI: 10.1021/acs.jpcc.4c03454

A Fully ab Initio Kinetic Monte Carlo Approach for Modeling Adsorption and Diffusion in Interstellar Icy Grain Mantles: The Case of H 2 S

Autores: Vittorio Bariosco, Stefano Pantaleone, Cecilia Ceccarelli, Piero Ugliengo, Albert Rimola
Publicado en: ACS Earth and Space Chemistry, 2025, ISSN 2472-3452
Editor: American Chemical Society (ACS)
DOI: 10.1021/acsearthspacechem.5c00208

Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study

Autores: Niccolò Bancone, Stefano Pantaleone, Piero Ugliengo, Albert Rimola, Marta Corno
Publicado en: Physical Chemistry Chemical Physics, Edición 25, 2024, Página(s) 26797-26812, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d3cp01459b

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

Autores: J. Perrero, S. Alessandrini, H. Ye, C. Puzzarini, A. Rimola
Publicado en: Astronomy & Astrophysics, Edición 698, 2025, Página(s) A51, ISSN 0004-6361
Editor: Springer Verlag
DOI: 10.1051/0004-6361/202554330

Theoretical modelling of the adsorption of neutral and charged sulphur-bearing species on to olivine nanoclusters

Autores: Jessica Perrero, Leire Beitia-Antero, Asunción Fuente, Piero Ugliengo, Albert Rimola
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición 527, 2024, Página(s) 10697-10704, ISSN 0035-8711
Editor: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stad3896

Study of Fischer-Tropsch-type reactions on chondritic meteorites

Autores: Victoria Cabedo; Victoria Cabedo; Jordi Llorca; Josep M. Trigo-Rodríguez; Albert Rimola
Publicado en: Astronomy & Astrophysics, Edición volume 650, 2021, ISSN 1432-0746
Editor: EDP sciences
DOI: 10.1051/0004-6361/202039991

Machine learning applications on lunar meteorite minerals: From classification to mechanical properties prediction

Autores: Eloy Peña-Asensio, Josep M. Trigo-Rodríguez, Jordi Sort, Jordi Ibáñez-Insa, Albert Rimola
Publicado en: International Journal of Mining Science and Technology, Edición 34, 2024, Página(s) 1283-1292, ISSN 2095-2686
Editor: Elsevier
DOI: 10.1016/j.ijmst.2024.08.001

Interaction of HCO+ cations with interstellar negative grains.Quantum chemical investigation and astrophysical implications.

Autores: Albert Rimola, Cecilia Ceccarelli, Nadia Balucani and Piero Ugliengo
Publicado en: Frontiers in Astronomy and Space Sciences, Edición Vol 8, 2021, ISSN 2296-987X
Editor: Frontiers media
DOI: 10.3389/fspas.2021.655405

Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations

Autores: Berta Martínez-Bachs, Stefano Ferrero, Cecilia Ceccarelli, Piero Ugliengo, Albert Rimola
Publicado en: The Astrophysical Journal, Edición 969, 2024, Página(s) 63, ISSN 0004-637X
Editor: University of Chicago Press
DOI: 10.3847/1538-4357/ad47b6

Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation?

Autores: Vittorio Bariosco, Lorenzo Tinacci, Stefano Pantaleone, Cecilia Ceccarelli, Albert Rimola, Piero Ugliengo
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición 539, 2025, Página(s) 82-94, ISSN 0035-8711
Editor: Blackwell Publishing Inc.
DOI: 10.1093/mnras/staf476

Phenomena at Interstellar Core and Mantle Grains: a Quantum Mechanical Approach

Autores: PERRERO, JESSICA
Publicado en: instname:CBUC, CESCA, Edición 16, 2025
Editor: UAB

Surface chemistry of molecules of astrophysical interest: theory and simulations

Autores: Joan Enrique-Romero
Publicado en: Edición 1, 2022
Editor: zenodo
DOI: 10.5281/zenodo.5833988

Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models

Autores: Perrero, Jessica; Rimola, Albert; Corno, Marta; Ugliengo, Piero
Publicado en: Lecture Notes in Computer Science, Edición vol 12953, 2021, Página(s) 608-619, ISBN 978-3-030-86976-2
Editor: Springer
DOI: 10.1007/978-3-030-86976-2_41

An Ab Initio Computational Study of Binding Energies of Interstellar Complex Organic Molecules on Crystalline Water Ice Surface Models

Autores: Kakkar, H., Martínez-Bachs, B., Rimola, A.
Publicado en: Lecture Notes in Computer Science, Edición vol 13378, 2022, ISBN 978-3-031-10562-3
Editor: Springer
DOI: 10.1007/978-3-031-10562-3_21

Computational investigation on the thermodynamics of H2CO + NH2 NH2CHO + H on interstellar water ice surfaces

Autores: Berta Martínez-Bachs; Albert Rimola
Publicado en: Lecture Notes in Computer Science, Edición vol 12953, 2021, Página(s) 658-666, ISBN 978-3-030-86976-2
Editor: Springer
DOI: 10.1007/978-3-030-86976-2_45

Ab-Initio Computational Study on Fe2NiP schreibersite: Bulk and Surface Characterization

Autores: Stefano Pantaleone; Stefano Pantaleone; Marta Corno; Albert Rimola; Nadia Balucani; Nadia Balucani; Piero Ugliengo
Publicado en: ACS Earth and Space Chemistry, Edición 2021, 5, 2021, Página(s) 1741−1751, ISSN 2472-3452
Editor: ACS
DOI: 10.1021/acsearthspacechem.1c00083

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