AstroChemical Origins

Livrables

"Immersive Virtual Reality ""Astrochemistry and Star Formation"" exhibition"

Organise the Immersive Virtual Reality “Astrochemistry and Star Formation” exhibition

Organise publication of ACO works on a A&A Special Issue

Organise the Final conference

Advertise ESRs vacancies in web sites and to the astrochemistry community. The advertisements themselves will be submitted in this deliverable.

CHESS and ASAI spectra

make CHESS and ASAI spectra publicly available

Network web site

Build and publish the Network web site

Publications

Astrochemistry as a Tool To Follow Protostellar Evolution: The Class I Stage

Auteurs: Eleonora Bianchi, Cecilia Ceccarelli, Claudio Codella, Juan Enrique-Romero, Cecile Favre, Bertrand Lefloch
Publié dans: ACS Earth and Space Chemistry, Numéro 3/12, 2019, Page(s) 2659-2674, ISSN 2472-3452
Éditeur: ACS Publications
DOI: 10.1021/acsearthspacechem.9b00158

ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT). III. The interplay between gas and dust in the protoplanetary disk of DG Tau

Auteurs: L. Podio, A. Garufi, C. Codella, D. Fedele, K. Rygl, C. Favre, F. Bacciotti, E. Bianchi, C. Ceccarelli, S. Mercimek, R. Teague, L. Testi
Publié dans: Astronomy & Astrophysics, Numéro December 2020, 2020, ISSN 0004-6361
Éditeur: Springer Verlag

Seeds of Life in Space (SOLIS) - VIII. SiO isotopic fractionation, and a new insight into the shocks of L1157-B1

Auteurs: S. Spezzano, C. Codella, L. Podio, C. Ceccarelli, P. Caselli, R. Neri, A. López-Sepulcre
Publié dans: Astronomy & Astrophysics, Numéro Volume 640 - A74, 2020, ISSN 0004-6361
Éditeur: Springer Verlag

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

Auteurs: Albert Rimola; Christian Domínguez Dalmases; Marc Serra-Peralta
Publié dans: Physical Chemistry - Chemical Physics, Numéro Numéro 46, Phys. Chem. Chem. Phys., 2022,24, 28381-28393, 2022, ISSN 1463-9076
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d2cp04051d

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

Auteurs: Stefano Pantaleone, Joan Enrique-Romero, Cecilia Ceccarelli, Piero Ugliengo, Nadia Balucani, Albert Rimola
Publié dans: The Astrophysical Journal, Numéro 897/1, 2020, Page(s) 56, ISSN 1538-4357
Éditeur: The American Astronomical Society
DOI: 10.3847/1538-4357/ab8a4b

XVII. Jet candidate unveiled in OMC-2 and its possible link to the enhanced cosmic-ray ionisation rate

Auteurs: V. Lattanzi; F. O. Alves; M. Padovani; F. Fontani; P. Caselli; C. Ceccarelli; A. López-Sepulcre; C. Favre; R. Neri; L. Chahine; C. Vastel; L. Evans
Publié dans: Astronomy & Astrophysics, Numéro Volume 671, March 2023, 2023, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202142736

Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework

Auteurs: Lorenzo Tinacci; Auréle Germain; Stefano Pantaleone; Stefano Ferrero; Cecilia Ceccarelli; Piero Ugliengo
Publié dans: ACS Earth and Space Chemistry, Numéro 6-6, 2022, Page(s) 1514–1526, ISSN 2472-3452
Éditeur: ACS Publications
DOI: 10.1021/acsearthspacechem.2c00040

The CALYPSO IRAM-PdBI survey of jets from Class 0 protostars

Auteurs: L. Podio, B. Tabone, C. Codella, F. Gueth, A. Maury, S. Cabrit, B. Lefloch, S. Maret, A. Belloche, P. André, S. Anderl, M. Gaudel, L. Testi
Publié dans: Astronomy & Astrophysics, Numéro 648, 2021, Page(s) A45, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202038429

ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT) V: Sample, overview, and demography of disk molecular emission

Auteurs: Antonio Garufi, Linda Podio, Claudio Codella, Davide Fedele, Eleonora Bianchi, Cecile Favre, Francesca Bacciotti, Cecilia Ceccarelli, Seyma Mercimek, Kazi Rygl, Richard Teague, Leonardo Testi
Publié dans: Astronomy & Astrophysics, Numéro Volume 645, January 2021, 2021, ISSN 1432-0746
Éditeur: EDP Science

II. Optical constants of CO and CO2 ices in the terahertz and infrared ranges

Auteurs: A. A. Gavdush; F. Kruczkiewicz; B. M. Giuliano; B. Müller; G. A. Komandin; T. Grassi; P. Theulé; K. I. Zaytsev; A. V. Ivlev; P. Caselli
Publié dans: Astronomy and Astrophysics, Numéro Volume 667, November 2022, 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202244102

Revisiting the reactivity between HCO and CH3 on interstellar grain surfaces

Auteurs: J Enrique-Romero, S Álvarez-Barcia, F J Kolb, A Rimola, C Ceccarelli, N Balucani, J Meisner, P Ugliengo, T Lamberts, J Kästner
Publié dans: Monthly Notices of the Royal Astronomical Society, Numéro 493/2, 2020, Page(s) 2523-2527, ISSN 0035-8711
Éditeur: Blackwell Publishing Inc.
DOI: 10.1093/mnras/staa484

FAUST V. Hot methanol in the [BHB2007] 11 protobinary system; hot corino versus shock origin

Auteurs: C. Vastel, F. Alves, C. Ceccarelli, M. Bouvier, I. Jimenez-Serra, T. Sakai, P. Caselli, L. Evans, F. Fontani, R. Le Gal, C. J. Chandler, B. Svoboda, L. Maud, C. Codella, N. Sakai, A. Lopez-Sepulcre, G. Moellenbrock, Y. Aikawa, N. Balucani, E. Bianchi, G. Busquet, E. Caux, S. Charnley, N. Cuello, M. De Simone, F. Dulieu, A. Duran, D. Fedele, S. Feng, L. Francis, T. Hama, T. Hanawa, E. Herbst, T. Hi
Publié dans: Astronomy & Astrophysics, Numéro Volume 664, August 2022 (A171), 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202243414

Chemical exploration of Galactic cold cores

Auteurs: Chenlin Zhou; Charlotte Vastel; Julien Montillaud; Cecilia Ceccarelli; Karine Demyk; Jorma Harju; Mika Juvela; Isabelle Ristorcelli; Tie Liu
Publié dans: Astronomy and Astrophysics, Numéro Volume 658, February 2022, 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202142408

Binding Energies of Interstellar Molecules on Crystalline and Amorphous Models of Water Ice by Ab Initio Calculations

Auteurs: Stefano Ferrero, Lorenzo Zamirri, Cecilia Ceccarelli, Arezu Witzel, Albert Rimola, Piero Ugliengo
Publié dans: The Astrophysical Journal, Numéro 904/1, 2020, Page(s) 11, ISSN 1538-4357
Éditeur: IOP Publishing
DOI: 10.3847/1538-4357/abb953

The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic

Auteurs: Lorenzo Tinacci; Simón Ferrada-Chamorro; Cecilia Ceccarelli; Stefano Pantaleone; Daniela Ascenzi; Andrea Maranzana; Nadia Balucani; Piero Ugliengo
Publié dans: The Astrophysical Journal - Supplement Series, Numéro Volume 266, Number 2, 2023, ISSN 0067-0049
Éditeur: University of Chicago Press
DOI: 10.3847/1538-4365/accae9

a review on the controlling parameters and their implications from snowlines to chemical complexity

Auteurs: 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; Francois Dulieu
Publié dans: ACS Earth and Space Chemistry, Numéro February 16th,2022, 2022, Page(s) 597-630, ISSN 2472-3452
Éditeur: ACS Publications
DOI: 10.1021/acsearthspacechem.1c00357

ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT). IV. Thioformaldehyde (H2CS) in protoplanetary disks: spatial distributions and binding energies

Auteurs: C. Codella, L. Podio, A. Garufi, J. Perrero, P. Ugliengo, D. Fedele, C. Favre, E. Bianchi, C. Ceccarelli, S. Mercimek, F. Bacciotti, K.L.J. Rygl, L. Testi
Publié dans: Astronomy & Astrophysics, Numéro December 2020, volume 644, 2020, ISSN 1432-0746
Éditeur: EDP Science

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

Auteurs: Rimola, Albert; Ferrero, Stefano; Germain, Aurèle; Corno, Marta; Ugliengo, Piero
Publié dans: Minerals, Vol 11, Iss 26, p 26 (2021), Numéro 2, 2020, ISSN 2075-163X
Éditeur: MDPI
DOI: 10.3390/min11010026

SOLIS XII. SVS13-A Class I chemical complexity as revealed by S-bearing species

Auteurs: C. Codella, E. Bianchi, L. Podio, S. Mercimek, C. Ceccarelli, A. Lopez-Sepulcre, R. Bachiller, P. Caselli, N. Sakai, R. Neri, F. Fontani, C. Favre, N. Balucani, B. Lefloch, S. Viti, S. Yamamoto
Publié dans: Astronomy & Astrophysics, Numéro Volume 654, October 2021 (A52), 2021, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202141485

FAUST. II. Discovery of a Secondary Outflow in IRAS 15398−3359: Variability in Outflow Direction during the Earliest Stage of Star Formation?

Auteurs: Yuki Okoda, Yoko Oya, Logan Francis, Doug Johnstone, Shu-ichiro Inutsuka, Cecilia Ceccarelli, Claudio Codella, Claire Chandler, Nami Sakai, Yuri Aikawa, Felipe O. Alves, Nadia Balucani, Eleonora Bianchi, Mathilde Bouvier, Paola Caselli, Emmanuel Caux, Steven Charnley, Spandan Choudhury, Marta De Simone, Francois Dulieu, Aurora Durán, Lucy Evans, Cécile Favre, Davide Fedele, Siyi Feng, Francesco
Publié dans: The Astrophysical Journal, Numéro 910/1, 2021, Page(s) 11, ISSN 0004-637X
Éditeur: University of Chicago Press
DOI: 10.3847/1538-4357/abddb1

SOLIS-XIII. Nitrogen fractionation towards the protocluster OMC-2 FIR4

Auteurs: L. Evans, F. Fontani, C. Vastel, C. Ceccarelli, P. Caselli, A. López-Sepulcre, R. Neri, F. Alves, L. Chahine, C. Favre, V. Lattanzi
Publié dans: Astronomy & Astrophysics, Numéro Volume 657, Numéro 0, 2023, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202142147

Infrared action spectroscopy as tool for probing gas-phase dynamics: protonated dimethyl ether, (CH3)2OH+, formed by the reaction of CH3OH2+ with CH3OH

Auteurs: V. Richardson; D. B. Rap; S. Brünken; D. Ascenzi
Publié dans: Molecular Physics : An International Journal at the Interface Between Chemistry and Physics, Numéro Article: e2223079, 2023, ISSN 0026-8976
Éditeur: Taylor & Francis
DOI: 10.1080/00268976.2023.2223079

OH(2Π) + C2H4 Reaction: A Combined Crossed Molecular Beam and Theoretical Study

Auteurs: Pengxiao Liang; Emília Valença Ferreira de Aragão; Lisa Giani; Luca Mancini; Giacomo Pannacci; Demian Marchione; Gianmarco Vanuzzo; Noelia Faginas-Lago; Marzio Rosi; Dimitrios Skouteris; Piergiorgio Casavecchia; Nadia Balucani
Publié dans: The Journal of Physical Chemistry, Numéro Volume 127 Numéro 21, 2023, Page(s) 4609-4623, ISSN 1089-5639
Éditeur: American Chemical Society
DOI: 10.1021/acs.jpca.2c08662

Reactions O(3P, 1D) + HCCCN(X1Σ+) (Cyanoacetylene): Crossed-Beam and Theoretical Studies and Implications for the Chemistry of Extraterrestrial Environments

Auteurs: Pengxiao Liang; Emilia V. F. de Aragão; Giacomo Pannacci; Gianmarco Vanuzzo; Andrea Giustini; Demian Marchione; Pedro Recio; Francesco Ferlin; Domenico Stranges; Noelia Faginas Lago; Marzio Rosi; Piergiorgio Casavecchia; Nadia Balucani
Publié dans: The Journal of Physical Chemistry, Numéro Jnauary 13, 2023, 2023, Page(s) 685-703, ISSN 1089-5639
Éditeur: American Chemical Society
DOI: 10.1021/acs.jpca.2c07708

Enlightening the chemistry of infalling envelopes and accretion disks around Sun-like protostars: the ALMA FAUST project

Auteurs: Codella, C.; Ceccarelli, C.; Sakai, C. Chandler N.; Yamamoto, S.; team, the FAUST
Publié dans: Frontiers Astronomy and Space Sciences, Numéro Front. Astron. Space Sci., 23 December 2021 Sec. Astrochemistry Volume 8 - 2021, 2021, ISSN 2296-987X
Éditeur: Frontiers Media SA
DOI: 10.3389/fspas.2021.782006

The Impact of Surface Passivation on Kapitza Resistance at the Interface between a Semiconductor and Liquid Nitrogen

Auteurs: Babak Mohammadian, Mark A. McCulloch, Thomas Sweetnam, Valerio Gilles, Lucio Piccirillo
Publié dans: Journal of Low-Temperature, 2023, ISSN 0022-2291
Éditeur: Kluwer Academic/Plenum Publishers
DOI: 10.48550/arxiv.2309.11192

Hunting for hot corinos and WCCC sources in the OMC-2/3 filament

Auteurs: M. Bouvier, A. López-Sepulcre, C. Ceccarelli, C. Kahane, M. Imai, N. Sakai, S. Yamamoto, P. J. Dagdigian
Publié dans: Astronomy & Astrophysics, Numéro 636, 2020, Page(s) A19, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/201937164

Revealing the Physical Conditions around Sgr A* Using Bayesian Inference. I. Observations and Radiative Transfer

Auteurs: Tomas A. James; Serena Viti; Serena Viti; Farhad Yusef-Zadeh; M. Royster; Mark Wardle
Publié dans: The Astrophysical Journal, Numéro Volume 916, Number 2, 2021, ISSN 2041-8205
Éditeur: Institute of Physics Publishing
DOI: 10.3847/1538-4357/abfd99

Chemical survey of Class I protostars with the IRAM-30 m

Auteurs: S. Mercimek; C. Codella; L. Podio; E. Bianchi; L. Chahine; M. Bouvier; A. López-Sepulcre; R. Neri; C. Ceccarelli
Publié dans: Astronomy & Astrophysics, Numéro Volume 659, March 2022 (Article A67), 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202141790

The HH 212 Interstellar Laboratory: Astrochemistry as a Tool To Reveal Protostellar Disks on Solar System Scales around a Rising Sun

Auteurs: Claudio Codella, Cecilia Ceccarelli, Chin-Fei Lee, Eleonora Bianchi, Nadia Balucani, Linda Podio, Sylvie Cabrit, Frederic Gueth, Antoine Gusdorf, Bertrand Lefloch, Benoit Tabone
Publié dans: ACS Earth and Space Chemistry, Numéro 3/10, 2019, Page(s) 2110-2121, ISSN 2472-3452
Éditeur: ACS Publications
DOI: 10.1021/acsearthspacechem.9b00136

Seeds of Life in Space (SOLIS). VI. Chemical evolution of sulfuretted species along the outflows driven by the low-mass protostellar binary

Auteurs: S. Spezzano, C. Codella, L. Podio, C. Ceccarelli, P. Caselli, R. Neri, A. López-Sepulcre
Publié dans: Astronomy & Astrophysics, Numéro A74, 2020, ISSN 0004-6361
Éditeur: Springer Verlag

Seeds of Life in Space (SOLIS). XIII. Nitrogen fractionation towards the protocluster OMC-2 FIR4

Auteurs: Evans, Lucy; Fontani, Francesco; Vastel, Charlotte; Ceccarelli, Cecilia; Caselli, Paola; L��pez-Sepulcre, Ana; Neri, Roberto; Alves, Felipe; Chahine, Layal; Favre, Cecile; Lattanzi, Valerio
Publié dans: Astronomy & Astrophysics, Numéro Volume 671, March 2023, 2023, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202142147e

The reactivity of methanimine radical cation (H2CNH•+) and its isomer aminomethylene (HCNH2•+) with C2H4

Auteurs: D. Sundelin, D. Ascenzi, V. Richardson, C. Alcaraz, M. Polášek, C. Romanzin, R. Thissen, P. Tosi, J. Žabka, W. Geppert
Publié dans: Chemical Physics Letters, Numéro 777, 2021, Page(s) 138677, ISSN 0009-2614
Éditeur: Elsevier BV
DOI: 10.1016/j.cplett.2021.138677

FAUST – VIII. The protostellar disc of VLA 1623–2417W and its streamers imaged by ALMA

Auteurs: S. Mercimek, L. Podio, C. Codella, L. Chahine, A. López-Sepulcre, S. Ohashi, L. Loinard, D. Johnstone, F. Menard, N. Cuello, P. Caselli, J. Zamponi, Y. Aikawa, E. Bianchi, G. Busquet, J. E. Pineda, M. Bouvier, M. De Simone, Y. Zhang, N. Sakai, C. J. Chandler, C. Ceccarelli, F. Alves, A. Durán, D. Fedele, N. Murillo, I. Jiménez-Serra, S. Yamamoto
Publié dans: Monthly notices of the Royal Astronomical Society, Numéro Volume 522, Numéro 2, June 2023, 2023, Page(s) 2384-2392, ISSN 0035-8711
Éditeur: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stad964

Modest Dust Settling in the IRAS04302+2247 Class I Protoplanetary Disk

Auteurs: M. Villenave; L. Podio; G. Duchêne; K. R. Stapelfeldt; C. Melis; C. Carrasco-Gonzalez; V. J. M. Le Gouellec; F. Ménard; M. de Simone; C. Chandler; A. Garufi; C. Pinte; E. Bianchi; C. Codella
Publié dans: The Astrophysical Journal, Numéro Volume 946, Number 2, 2023, ISSN 1538-4357
Éditeur: IOP Science
DOI: 10.3847/1538-4357/acb92e

Reaction N(2D) + CH2CCH2 (Allene): An Experimental and Theoretical Investigation and Implications for the Photochemical Models of Titan

Auteurs: Gianmarco Vanuzzo; Luca Mancini; Giacomo Pannacci; Pengxiao Liang; Demian Marchione; Pedro Recio; Yuxin Tan; Marzio Rosi; Dimitrios Skouteris; Piergiorgio Casavecchia; Nadia Balucani; Kevin M. Hickson; Jean-Christophe Loison; Michel Dobrijevic
Publié dans: ACS Earth and Space Chemistry, Numéro 2022, 6, 10, 2022, Page(s) 2305-2321, ISSN 2472-3452
Éditeur: ACS
DOI: 10.1021/acsearthspacechem.2c00183

Cyanopolyyne Chemistry in the L1544 Prestellar Core: New Insights from GBT Observations

Auteurs: Eleonora Bianchi; Anthony Remijan; Claudio Codella; Cecilia Ceccarelli; Francois Lique; Silvia Spezzano; Nadia Balucani; Paola Caselli; Eric Herbst; Linda Podio; Charlotte Vastel; Brett McGuire
Publié dans: The Astrophysical Journal, Numéro Volume 944, Number 2, 2023, ISSN 0004-637X
Éditeur: University of Chicago Press
DOI: 10.3847/1538-4357/acb5e8

Reactivity of HCO with CH 3 and NH 2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study

Auteurs: Joan Enrique-Romero, Albert Rimola, Cecilia Ceccarelli, Piero Ugliengo, Nadia Balucani, Dimitrios Skouteris
Publié dans: ACS Earth and Space Chemistry, Numéro 3/10, 2019, Page(s) 2158-2170, ISSN 2472-3452
Éditeur: ACS Publications
DOI: 10.1021/acsearthspacechem.9b00156

Interstellar Formamide (NH 2 CHO), a Key Prebiotic Precursor

Auteurs: Ana López-Sepulcre, Nadia Balucani, Cecilia Ceccarelli, Claudio Codella, François Dulieu, Patrice Theulé
Publié dans: ACS Earth and Space Chemistry, Numéro 3/10, 2019, Page(s) 2122-2137, ISSN 2472-3452
Éditeur: American Chemical Society
DOI: 10.1021/acsearthspacechem.9b00154

C2O and C3O in low-mass star-forming regions

Auteurs: R. G. Urso, M. E. Palumbo, C. Ceccarelli, N. Balucani, S. Bottinelli, C. Codella, F. Fontani, P. Leto, C. Trigilio, C. Vastel, R. Bachiller, G. A. Baratta, C. S. Buemi, E. Caux, A. Jaber Al-Edhari, B. Lefloch, A. López-Sepulcre, G. Umana and L. Testi
Publié dans: Astronomy & Astrophysics, Numéro 628, A72, 2019, ISSN 0004-6361
Éditeur: Springer Verlag

Modeling the early mass ejection in jet-driven protostellar outflows: Lessons from Cep E

Auteurs: P.R. Rivera-Ortiz; A. de A. Schutzer; B. Lefloch; A. Gusdorf
Publié dans: Astronomy & Astrophysics, Numéro Volume 672, April 2023, 2023, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202245085

From gaseous HCN to nucleobases at the cosmic silicate dust surface: an experimental insight into the onset of prebiotic chemistry in space

Auteurs: Rosangela Santalucia; Marco Pazzi; Francesca Bonino; Matteo Signorile; Domenica Scarano; Piero Ugliengo; Giuseppe Spoto; Lorenzo Mino
Publié dans: Physical Chemistry Chemical Physics, Numéro 01/03/2022, Numéro 12, 2022, Page(s) 7224-7230, ISSN 1463-9076
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d1cp05407d

Identifying the most constraining ice observations to infer molecular binding energies

Auteurs: Johannes Heyl; Elena Sellentin; Jonathan Holdship; Serena Viti
Publié dans: Monthly Notices of the Royal Astronomical Society, Numéro Volume 517, Numéro 1, 2022, Page(s) 38-46, ISSN 0035-8711
Éditeur: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stac2652

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

Auteurs: Joan Mariñoso Guiu, Stefano Ferrero, Antonio Macià Escatllar, Albert Rimola, Stefan T. Bromley
Publié dans: Frontiers in Astronomy and Space Sciences, Numéro 8, 2021, ISSN 2296-987X
Éditeur: Front. Astron. Space Sci.
DOI: 10.3389/fspas.2021.676548

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

Auteurs: V. Taquet, E. Bianchi, C. Codella, M. V. Persson, C. Ceccarelli, S. Cabrit, J. K. Jørgensen, C. Kahane, A. López-Sepulcre, R. Neri
Publié dans: Astronomy & Astrophysics, Numéro 632, 2019, Page(s) A19, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/201936044

FAUST VI. VLA1623−2417 B: a new laboratory for astrochemistry around protostars on 50 au scale

Auteurs: C. Codella, A. López-Sepulcre, S. Ohashi, C. J. Chandler, M. De Simone, L. Podio, C. Ceccarelli, N. Sakai, F. Alves, A. Durán, D. Fedele, L. Loinard, S. Mercimek, N. Murillo, E. Bianchi, M. Bouvier, G. Busquet, P. Caselli, F. Dulieu, S. Feng, T. Hanawa, D. Johnstone, B. Lefloch, L. T. Maud, G. Moellenbrock, Y. Oya, B. Svoboda, S. Yamamoto
Publié dans: Monthly Notices of the Royal Astronomical Society, Numéro Volume 515, Numéro 1, September 2022, 2022, Page(s) 543–554, ISSN 0035-8711
Éditeur: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stac1802

Revised gas-phase formation network of methyl cyanide: the origin of methyl cyanide and methanol abundance correlation in hot corinos

Auteurs: Lisa Giani; Cecilia Ceccarelli; Luca Mancini; Eleonora Bianchi; Fernando Pirani; Marzio Rosi; Nadia Balucani
Publié dans: Monthly Notices of the Royal Astronomical Society, Numéro Volume 526 Numéro 3 December 2023, 2023, Page(s) 4535–4556, ISSN 0035-8711
Éditeur: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stad2892

Exploiting Network Topology for Accelerated Bayesian Inference of Grain Surface Reaction Networks

Auteurs: Johannes Heyl, Serena Viti, Jonathan Holdship, Stephen M. Feeney
Publié dans: The Astrophysical Journal, Numéro 904/2, 2020, Page(s) 197, ISSN 1538-4357
Éditeur: IOP Publishing
DOI: 10.3847/1538-4357/abbeed

The SVS13-A Class I chemical complexity as revealed by S-bearing species. SOLIS XIII

Auteurs: Codella, C.; Bianchi, E.; Podio, L.; Mercimek, S.; Ceccarelli, C.; Lopez-Sepulcre, A.; Bachiller, R.; Caselli, P.; Sakai, N.; Neri, R.; Fontani, F.; Favre, C.; Balucani, N.; Lefloch, B.; Viti, S.; Yamamoto, S.
Publié dans: Astronomy & Astrophysics, Numéro 654, A52 (2021), 2021, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.48550/arxiv.2109.01142

XV. CH3CN deuteration in the SVS13-A Class I hot corino

Auteurs: E. Bianchi; C. Ceccarelli; C. Codella; A. López-Sepulcre; S. Yamamoto; N. Balucani; P. Caselli; L. Podio; R. Neri; R. Bachiller; C. Favre; F. Fontani; B. Lefloch; N. Sakai; D. Segura-Cox
Publié dans: Astronomy & Astrophysics, Numéro Volume 662, June 2022, Article A103, 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202141893

XI. First measurement of nitrogen fractionation in shocked clumps of the L1157 protostellar outflow

Auteurs: Benedettini, M.; Viti, S.; Codella, C.; Ceccarelli, C.; Neri, R.; López-Sepulcre, A.; Bianchi, E.; Busquet, G.; Caselli, P.; Fontani, F.; Lefloch, B.; Podio, L.; Spezzano, S.; Vastel, C.
Publié dans: Astronomy & Astrophysics, Numéro Volume 645, January 2021, Article A91, 2021, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202039609

Fragmentation of interstellar methanol by collisions with He˙+: an experimental and computational study

Auteurs: Richardson V.;Valenca Ferreira de Aragao E.;He X.;Pirani F.;Mancini L.;Faginas-Lago N.;Rosi M.;Martini L. M.;Ascenzi D.
Publié dans: Physical Chemistry, Chemical Physics, Numéro Numéro 37, September 2022, 2022, ISSN 1463-9084
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d2cp02458f

The Effects of Cosmic Rays on the Chemistry of Dense Cores

Auteurs: Ross O’Donoghue; Serena Viti; Marco Padovani; Tomas James
Publié dans: The Astrophysical Journal, Numéro Volume 934, Number 1, 2022, ISSN 2041-8205
Éditeur: Institute of Physics Publishing
DOI: 10.3847/1538-4357/ac7963

Structures and Properties of Known and Postulated Interstellar Cations

Auteurs: Lorenzo Tinacci, Stefano Pantaleone, Andrea Maranzana, Nadia Balucani, Cecilia Ceccarelli, Piero Ugliengo
Publié dans: The Astrophysical Journal Supplement Series, Numéro 256/2, 2021, Page(s) 35, ISSN 0067-0049
Éditeur: University of Chicago Press
DOI: 10.3847/1538-4365/ac194c

Ammonia snow lines and ammonium salts desorption

Auteurs: F. Kruczkiewicz, J. Vitorino, E. Congiu, P. Theulé, F. Dulieu
Publié dans: Astronomy & Astrophysics, Numéro April 16th, 2021, 2021, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202140579

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

Auteurs: Aurèle Germain; Lorenzo Tinacci; Stefano Pantaleone; Cecilia Ceccarelli; Piero Ugliengo
Publié dans: ACS Earth and Space Chemistry, Numéro 2022, 6, 5, 2022, Page(s) 1286–1298, ISSN 2472-3452
Éditeur: ACS publications
DOI: 10.1021/acsearthspacechem.2c00004

Organic chemistry in the protosolar analogue HOPS-108: Environment matters

Auteurs: L. Chahine; Ana López-Sepulcre; R. Neri; Cecilia Ceccarelli; S. Mercimek; C. Codella; Mathilde Bouvier; E. Bianchi; Cécile Favre; Linda Podio; Felipe O. Alves; Nami Sakai; Satoshi Yamamoto
Publié dans: Astronomy & Astrophysics, Numéro Volume 657, January 2022, 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202141811

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

Auteurs: Stefano Pantaleone; Joan Enrique-Romero; Cecilia Ceccarelli; Stefano Ferrero; Nadia Balucani; Albert Rimola; Piero Ugliengo
Publié dans: The Astrophysical journal, Numéro 2021 August 16, 2021, ISSN 1742-6596
Éditeur: IOP Publishing
DOI: 10.3847/1538-4357/ac0142

H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage

Auteurs: Daniela Ascenzi; Ewa Erdmann; Paola Bolognesi; Lorenzo Avaldi; Mattea Carmen Castrovilli; Roland Thissen; Claire Romanzin; Christian Alcaraz; Ismanuel Rabadan; Luis Mendez; Sergio Díaz-Tendero; Antonella Cartoni
Publié dans: Physical Chemistry, Chemical Physics, Numéro issue 36, 2023, 2023, ISSN 1463-9076
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d3cp02772d

A Detailed Temperature Map of the Archetypal Protostellar Shocks in L1157

Auteurs: S. Feng; H. B. Liu; P. Caselli; A. Burkhardt; F. Du; R. Bachiller; C. Codella; C. Ceccarelli
Publié dans: The Astrophysical Journal Letters, Numéro Volume 933, Number 2, L35, 2022, ISSN 2041-8205
Éditeur: Institute of Physics Publishing
DOI: 10.3847/2041-8213/ac75d7

an MCMC inference tool for physical parameters of molecular clouds

Auteurs: Marcus Keil; Serena Viti; Jonathan Holdship
Publié dans: The Astrophysical Journal, 927:203, Numéro Volume 927, Number 2, 2022, ISSN 2041-8205
Éditeur: Institute of Physics Publishing
DOI: 10.3847/1538-4357/ac51d0

Experimental and Computational Studies on the Reactivity of Methanimine Radical Cation (H2CNH+•) and its Isomer Aminomethylene (HCNH2+•) With C2H2

Auteurs: Vincent Richardson, Daniela Ascenzi, David Sundelin, Christian Alcaraz, Claire Romanzin, Roland Thissen, Jean-Claude Guillemin, Miroslav Polášek, Paolo Tosi, Jan Žabka and Wolf D. Geppert
Publié dans: Frontiers in Astronomy and Space Sciences, Numéro October 21, 2021, 2021, ISSN 2296-987X
Éditeur: Frontiers Astron. Space Sci.
DOI: 10.3389/fspas.2021.752376

Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?

Auteurs: Eleonora Bianchi; Ana López-Sepulcre; Cecilia Ceccarelli; Claudio Codella; Linda Podio; Mathilde Bouvier; Joan Enrique-Romero; Rafael Bachiller; Bertrand Lefloch
Publié dans: Faraday Discussions, Numéro Volume 245, 2023, 2023, ISSN 1359-6640
Éditeur: Royal Society of Chemistry
DOI: 10.1039/d3fd00018d

CH$_3$CN deuteration in the SVS13-A Class I hot-corino. SOLIS XV

Auteurs: Bianchi, Eleonora; Ceccarelli, Cecilia; Codella, Claudio; López-Sepulcre, Ana; Yamamoto, Satoshi; Balucani, Nadia; Caselli, Paola; Podio, Linda; Neri, Roberto; Bachiller, Rafael; Favre, Cécile; Fontani, Francesco; Lefloch, Bertrand; Sakai, Nami; Segura-Cox, Dominique
Publié dans: Astronomy & Astrophysics, Numéro Volume662, June 2022, 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.48550/arxiv.2202.09285

Stratified Distribution of Organic Molecules at the Planet-formation Scale in the HH 212 Disk Atmosphere

Auteurs: Chin-Fei Lee; Claudio Codella; Cecilia Ceccarelli; Ana López-Sepulcre
Publié dans: The Astrophysical Journal, Numéro 16 September 2022, 2022, Page(s) 937, ISSN 1538-4357
Éditeur: IOP Publishing
DOI: 10.3847/1538-4357/ac8c28

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

Auteurs: L. Chahine; A. López-Sepulcre; L. Podio; C. Codella; R. Neri; S. Mercimek; M. De Simone; P. Caselli; C. Ceccarelli; M. Bouvier; N. Sakai; F. Fontani; S. Yamamoto; F. O. Alves; V. Lattanzi; L. Evans; C. Favre
Publié dans: Astronomy & Astrophysics, Numéro A&A 667, A6 (2022), 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202243799

ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT)

Auteurs: A. Garufi, L. Podio, C. Codella, K. Rygl, F. Bacciotti, S. Facchini, D. Fedele, A. Miotello, R. Teague, L. Testi
Publié dans: Astronomy & Astrophysics, Numéro 636, 2020, Page(s) A65, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/201937247

We Drink Good 4.5-Billion-Year-Old Water

Auteurs: Cecilia Ceccarelli; Fujun Du
Publié dans: Elements, Numéro Volume 18, Number 3, 2022, Page(s) 155-160, ISSN 1811-5209
Éditeur: Mineralogical Society of America
DOI: 10.2138/gselements.18.3.155

First measurement of nitrogen fractionation in shocked clumps of the L1157 protostellar outflow. SOLIS XI

Auteurs: Benedettini, M.; Viti, S.; Codella, C.; Ceccarelli, C.; Bianchi, E.; Busquet, G.; Caselli, P.; Fontani, F.; Lefloch, B.; Podio, L.; Spezzano, S.; Vastel, C.
Publié dans: Astronomy and Astrophysics, Numéro January 2021, 2021, Page(s) A91, ISSN 0004-6361
Éditeur: Springer Verlag

The Two Hot Corinos of the SVS13-A Protostellar Binary System: Counterposed Siblings

Auteurs: Eleonora Bianchi; Ana López-Sepulcre; Cecilia Ceccarelli; Claudio Codella; Linda Podio; Mathilde Bouvier; Joan Enrique-Romero
Publié dans: The astrophysical Journal Letters, Numéro Volume 928, number 1, 2022, ISSN 2041-8205
Éditeur: Institute of Physics Publishing
DOI: 10.3847/2041-8213/ac5a56

FAUST III. Misaligned rotations of the envelope, outflow, and disks in the multiple protostellar system of VLA 1623$-$2417

Auteurs: Ohashi, Satoshi; Codella, Claudio; Sakai, Nami; Chandler, Claire J.; Ceccarelli, Cecilia; Alves, Felipe; Fedele, Davide; Hanawa, Tomoyuki; Dur��n, Aurora; Favre, C��cile; L��pez-Sepulcre, Ana; Loinard, Laurent; Mercimek, Seyma; Murillo, Nadia M.; Podio, Linda; Zhang, Yichen; Aikawa, Yuri; Balucani, Nadia; Bianchi, Eleonora; Bouvier, Mathilde; Busquet, Gemma; Caselli, Paola; Caux, Emman
Publié dans: The Astrophysical Journal, Numéro ApJ 927 54, 2022, ISSN 2041-8205
Éditeur: Institute of Physics Publishing
DOI: 10.3847/1538-4357/ac4cae

Parametric Amplification via Superconducting Contacts in a Ka Band Niobium Pillbox Cavity

Auteurs: V. Gilles; D. Banys; M. A. McCulloch; L. Piccirillo; T. Sweetnam
Publié dans: Journal of low temperature Physics, Numéro 211, 2023, Page(s) 302-309, ISSN 0022-2291
Éditeur: Kluwer Academic/Plenum Publishers
DOI: 10.1007/s10909-022-02891-w

FAUST I. The hot corino at the heart of the prototypical Class I protostar L1551 IRS5

Auteurs: E Bianchi, C J Chandler, C Ceccarelli, C Codella, N Sakai, A López-Sepulcre, L T Maud, G Moellenbrock, B Svoboda, Y Watanabe, T Sakai, F Ménard, Y Aikawa, F Alves, N Balucani, M Bouvier, P Caselli, E Caux, S Charnley, S Choudhury, M De Simone, F Dulieu, A Durán, L Evans, C Favre, D Fedele, S Feng, F Fontani, L Francis, T Hama, T Hanawa, E Herbst, T Hirota, M Imai, A Isella, I Jiménez-Serra, D
Publié dans: Monthly Notices of the Royal Astronomical Society: Letters, Numéro 498/1, 2020, Page(s) L87-L92, ISSN 1745-3933
Éditeur: Blackwell Publishing
DOI: 10.1093/mnrasl/slaa130

A train of shocks at 3000-au scale? Exploring the clash of an expanding bubble into the NGC 1333 IRAS 4 region. SOLIS XIV

Auteurs: Marta De Simone; Claudio Codella; Cecilia Ceccarelli; Ana López-Sepulcre; Roberto Neri; Pedro Ruben Rivera-Ortiz; Gemma Busquet; Paola Caselli; Eleonora Bianchi; Francesco Fontani; Bertrand Lefloch; Yoko Oya; Jaime E Pineda
Publié dans: Monthly Notices of the Royal Astronomical Society, Numéro Volume 512 Numéro 4 (June 2022), 2022, ISSN 0035-8711
Éditeur: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stac083

Understanding molecular abundances in star-forming regions using interpretable machine learning

Auteurs: Johannes Heyl; Joshua Butterworth; Serena Viti
Publié dans: Monthly Notices of the Royal Astronomical Society, Numéro Volume 526, Numéro 1, November 2023, 2023, Page(s) 404-422, ISSN 0035-8711
Éditeur: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stad2814

ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT)VI. Accretion shocks in the disk of DG Tau and HL Tau

Auteurs: A. Garufi, L. Podio, C. Codella, D. Segura-Cox, M. Vander Donckt, S. Mercimek, F. Bacciotti, D. Fedele, M. Kasper, J. E. Pineda, E. Humphreys, L. Testi
Publié dans: Astronomy & Astrophysics, Numéro Volume 658, February 2022 (A104), 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.1051/0004-6361/202141264

Mass ejection and time variability in protostellar outflows: Cep E. SOLIS XVI

Auteurs: Schutzer, A. de A.; Rivera-Ortiz, P. R.; Lefloch, B.; Gusdorf, A.; Favre, C.; Segura-Cox, D.; Lopez-Sepulcre, A.; Neri, R.; Ospina-Zamudio, J.; De Simone, M.; Codella, C.; Viti, S.; Podio, L.; Pineda, J.; O'Donoghue, R.; Ceccarelli, C.; Caselli, P.; Alves, F.; Bachiller, R.; Balucani, N.; Bianchi, E.; Bizzocchi, L.; Bottinelli, S.; Caux, E.; Chacón-Tanarro, A.; Dulieu, F.; Enrique-Romero, J.; Fon
Publié dans: Astronomy & Astrophysics, Numéro Volume 662, June 2022, article A104, 2022, ISSN 0004-6361
Éditeur: Springer Verlag
DOI: 10.48550/arxiv.2203.09383

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

Auteurs: Albert Rimola, Cecilia Ceccarelli, Nadia Balucani, Piero Ugliengo
Publié dans: Frontiers in Astronomy and Space Sciences, Numéro 8, 2021, ISSN 2296-987X
Éditeur: Front. Astron. Space Sci.
DOI: 10.3389/fspas.2021.655405

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

Auteurs: Piero Ugliengo; Albert Rimola; Nadia Balucani; Cecilia Ceccarelli
Publié dans: International Journal of Molecular Science, Numéro 23(8), 4252, 2022, ISSN 1422-0067
Éditeur: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23084252

The reactivity of methanimine radical cation (H2CNH+) and its isomer aminomethylene (HCNH2+) with methane

Auteurs: V. Richardson, C. Alcaraz, W.D. Geppert, M. Polášek, C. Romanzin, D. Sundelin, R. Thissen, P. Tosi, J. Žabka, D. Ascenzi
Publié dans: Chemical Physics Letters, Numéro 775, 2021, Page(s) 138611, ISSN 0009-2614
Éditeur: Elsevier BV
DOI: 10.1016/j.cplett.2021.138611

Coding Cross Sections of an Electron Charge Transfer Process

Auteurs: Emília Valença Ferreira de Aragão; Luca Mancini; Xiao He; Noelia Faginas-Lago; Marzio Rosi; Daniela Ascenzi; Fernando Pirani
Publié dans: Computational Science and Its Applications – ICCSA 2022 Workshops ISBN: 9783031105913, Numéro Lecture Notes in Computer Science book series (LNCS,volume 13382), 2022, ISBN 9783031105913
Éditeur: Springer Link
DOI: 10.1007/978-3-031-10592-0_24

Coding Cross Sections of an Electron Charge Transfer Process

Auteurs: de Aragão, Emília Valença Ferreira; Mancini, Luca; He, Xiao; Faginas-Lago, Noelia; Rosi, Marzio; Ascenzi, Daniela; Pirani, Fernando
Publié dans: ICCSA 2022: Computational Science and Its Applications – ICCSA 2022 Workshops, Numéro Lecture Notes in Computer Science book series (LNCS,volume 13382), 2022
Éditeur: SpringerLink
DOI: 10.48550/arxiv.2212.11903

The S$^+$($^4$S) + SiH$_{2}$($^1$A$_1$) Reaction: Toward the Synthesis of Interstellar SiS

Auteurs: Mancini, Luca; Trinari, Marco; de Aragão, Emília Valença Ferreira; Rosi, Marzio; Balucani, Nadia
Publié dans: ICCSA 2022, Numéro 04/08/2022, 2022, Page(s) 233-245
Éditeur: Springer Link
DOI: 10.1007/978-3-031-10562-3_17

Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential

Auteurs: de Aragão, Emília Valença Ferreira; Mancini, Luca; Faginas-Lago, Noelia; Rosi, Marzio; Balucani, Nadia; Pirani, Fernando
Publié dans: ICCSA 2021 Computational Science and Its Applications 2021, 2021, Page(s) 413-425
Éditeur: Springer
DOI: 10.1007/978-3-030-87016-4_31

A Computational Study of the Reaction Cyanoacetylene and Cyano Radical leading to 2-Butynedinitrile and Hydrogen Radical

Auteurs: Valença Ferreira de Aragão, Emília; Faginas-Lago, Noelia; Rosi, Marzio; Mancini, Luca; Balucani, Nadia; Skouteris, Dimitrios
Publié dans: Computational Science and Its Applications – ICCSA 2020, Numéro Lecture Notes in Computer Science book series (LNTCS,volume 12251), 2020, Page(s) 707-716
Éditeur: Springer Link
DOI: 10.48550/arxiv.2107.06003

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

Auteurs: Perrero, Jessica; Rimola, Albert; Corno, Marta; Ugliengo, Piero
Publié dans: ICCSA 2021: Computational Science and Its Applications – ICCSA 2021, Numéro Lecture Notes in Computer Science book series (LNTCS,volume 12953), 2021, Page(s) 608-619
Éditeur: Springer Link
DOI: 10.48550/arxiv.2110.06010

Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost

Auteurs: de Aragão, Emília Valença Ferreira; Faginas-Lago, Noelia; Apriliyanto, Yusuf Bramastya; Lombardi, Andrea
Publié dans: Computational Science and Its Applications – ICCSA 2020, Numéro LNTC volume 12255, 2020, Page(s) 513-525
Éditeur: Springer
DOI: 10.48550/arxiv.2107.08904

Building chemical complexity with ion-molecule reactions: from protostellar stages to Solar System planets and exoplanets

Auteurs: Vincent Richardson; Christian Alcaraz; Wolf Geppert; Jean-Claude Guillemin; Miroslav Polášek; Claire Romanzin; David Sundelin; Roland Thissen; Paolo Tosi; Daniela Ascenzi
Publié dans: Crossref, Numéro 1, 2020
Éditeur: Europlanet Science Congress
DOI: 10.5194/epsc2020-736

Organic chemistry in the first phases of Solar-type protostars

Auteurs: Ceccarelli, C.; Codella, C.; Balucani, N.; Bockelée-Morvan, D.; Herbst, E.; Vastel, C.; Caselli, P.; Favre, C.; Lefloch, B.; Öberg, K.
Publié dans: Numéro 10-15 April 2023, 2022
Éditeur: PPVII
DOI: 10.48550/arxiv.2206.13270

Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations

Auteurs: Stefano Pantaleone; Stefano Pantaleone; Albert Rimola; Javier Navarro-Ruiz; Pierre Mignon; Mariona Sodupe; Piero Ugliengo; Nadia Balucani; Nadia Balucani
Publié dans: Computational Science and Its Applications – ICCSA 2020 ISBN: 9783030588199, Numéro Lecture Notes in Computer Science book series (LNTCS,volume 12255), 2020, ISBN 9783030588199
Éditeur: Springer Link
DOI: 10.1007/978-3-030-58820-5_37

Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice

Auteurs: Aurèle Germain; Marta Corno; Piero Ugliengo
Publié dans: Computational Science and Its Applications – ICCSA 2021, Numéro ICCSA2021, 2021, Page(s) 632-645, ISBN 9783030869755
Éditeur: Springer link
DOI: 10.1007/978-3-030-86976-2_43

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

Auteurs: Jessica Perrero; Albert Rimola; Marta Corno; Piero Ugliengo
Publié dans: ICCSA 2021: Computational Science and Its Applications – ICCSA 2021, Numéro Lecture Notes in Computer Science book series (LNTCS,volume 12953), 2021, ISBN 978-3-030-86975-5
Éditeur: SpringerLink
DOI: 10.1007/978-3-030-86976-2_41

A Computational Analysis of the Reaction of Atomic Oxygen O( 3 P) with Acrylonitrile.

Auteurs: Luca Mancini; Emília Valença Ferreira de Aragão
Publié dans: Computational Science and Its Applications – ICCSA 2021 ISBN: 9783030870157, Numéro Lecture Notes in Computer Science book series (LNTCS,volume 12958), 2021, ISBN 9783030870157
Éditeur: Springer Link
DOI: 10.1007/978-3-030-87016-4_25

Modeling Interstellar Amorphous Solid Water Grains by Tight-Binding Based Methods: Comparison Between GFN-XTB and CCSD(T) Results for Water Clusters

Auteurs: Aurèle Germain, Piero Ugliengo
Publié dans: Computational Science and Its Applications – ICCSA 2020 - 20th International Conference, Cagliari, Italy, July 1–4, 2020, Proceedings, Part V, Numéro 12253, 2020, Page(s) 745-753, ISBN 978-3-030-58813-7
Éditeur: Springer International Publishing
DOI: 10.1007/978-3-030-58814-4_62

Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost

Auteurs: Emília Valença Ferreira de Aragão, Noelia Faginas-Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
Publié dans: Computational Science and Its Applications – ICCSA 2020 - 20th International Conference, Cagliari, Italy, July 1–4, 2020, Proceedings, Part VII, Numéro 12255, 2020, Page(s) 513-525, ISBN 978-3-030-58819-9
Éditeur: Springer International Publishing
DOI: 10.1007/978-3-030-58820-5_38

A Computational Study of the Reaction Cyanoacetylene and Cyano Radical Leading to 2-Butynedinitrile and Hydrogen Radical

Auteurs: Emília Valença Ferreira de Aragão, Noelia Faginas-Lago, Marzio Rosi, Luca Mancini, Nadia Balucani, Dimitrios Skouteris
Publié dans: Computational Science and Its Applications – ICCSA 2020 - 20th International Conference, Cagliari, Italy, July 1–4, 2020, Proceedings, Part III, Numéro 12251, 2020, Page(s) 707-716, ISBN 978-3-030-58807-6
Éditeur: Springer International Publishing
DOI: 10.1007/978-3-030-58808-3_51

Astrochemical reaction networks: bringing order to chaos

Auteurs: Tinacci, Lorenzo
Publié dans: Numéro 5, 2023
Éditeur: Université Grenoble Alpes
DOI: 10.5281/zenodo.8032333

ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT) II: Vertical stratification of CO, CS, CN, H2CO, and CH3OH in a Class I disk

Auteurs: L. Podio, A. Garufi, C. Codella, D. Fedele, E. Bianchi, F. Bacciotti, C. Ceccarelli, C. Favre, S. Mercimek, K. Rygl, L. Testi
Publié dans: Astronomy & Astrophysics, Numéro Letters to the editor, 2020, ISSN 1432-0746
Éditeur: EDP Science
DOI: 10.1051/0004-6361/202038952

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