Quantum Chemistry on Interstellar Grains

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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 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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