Referred Publications


2022


  1. C. Ceccarelli, Du F.

We drink good 4.5-Billion-Year old Water

2022 Elements, 18, 155

  1. J. Perrero, J. Enrique-Romero, S. Ferrero, C. Ceccarelli, L. Podio, C. Codella, A. Rimola, P. Ugliengo

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

2022 ApJ in press


  1. J. Enrique-Romero, A. Rimola, C. Ceccarelli, P. Ugliengo, N. Balucani, D. Skouteris

Quantum mechanical simulations of the radical-radical chemistry on icy surfaces

2022.....Astrophysical Journal Supplementary Series, 259, 39


  1. . J. Perrero, J. Enrique-Romero, B. Martinez-Bachs, C. Ceccarelli, N. Balucani, P. Ugliengo, A. Rimola

Non-energetic formation of ethanol via CCH reaction with interstellar H2O ices. A computational chemistry study

2022..ACS Earth and Space Chemistry, 6, 496–511


  1. S. Ferrero, F. Grieco, I. M. Abdi-Salam, F. Dulieu, A. Rimola, C. Ceccarelli, C. Nervi, M. Minissale, P. Ugliengo

Acetaldehyde binding energies: a coupled experimental and theoretical study

2022..MNRAS...516...2586


  1. H. Kakkar, B. Martínez-Bachs, A. RimolaA. Rimola, N. Balucani, C. Ceccarelli, P. Ugliengo

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

2022..Computational Science and Its Applications – ICCSA 2022 (Editors: O. Gervasi et al.). Lecture Notes in Computer Science, volume 13378. Springer, Cham., 281 – 292


  1. S. Pantaleone, M. Corno, A. Rimola, N. Balucani, P. Ugliengo

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

2022Journal of Physical Chemistry C, 126, 2243–2252


  1. C. Codella, A. López-Sepulcre, S. Ohashi, and 26 more

FAUST VI. VLA 1623-2417 B: a new laboratory for astrochemistry around protostars on 50 au scale

MNRAS 2022, 515, 543


  1. C. Ceccarelli, C. Codella, N. Balucani, D. Bockelèe-Morvan, E. Herbst, C. Vastel, P. Caselli, C. Favre, B. Lefloch, K. Öberg

Organic chemistry in the first phases of Solar-type protostars


PROTOSTAR & PLANETS VII - 2022, in press


  1. Marchione, D., Mancini, L., Liang, P., Vanuzzo, G., Pirani, F., Skouteris, D., Rosi, M., Casavecchia, P., Balucani, N.

Unsaturated Dinitriles Formation Routes in Extraterrestrial Environments: A Combined Experimental and Theoretical Investigation of the Reaction between Cyano Radicals and Cyanoethene (C2H3CN)


The Journal of Physical Chemistry 2022, in press


Molecular Physics 2022, in press


  1. Liang, P., Mancini, L., Marchione, D., Vanuzzo, G., Ferlin, F., Tan, Y., Pannacci, G., Vaccaro, L., Rosi, M., Casavecchia, P., Balucani, N.

Combined Crossed Molecular Beams and Computational Study on the N(2D) + HCCCN(X1Σ+) Reaction and Implications for Extra-Terrestrial Environments


  1. Tinacci, L., Germain, A., Pantaleone, S., Ferrero, Ceccarelli, C., Ugliengo, P.

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


ACS Earth Space Chem. 2022, in press


  1. Germain, A., Tinacci, L., Pantaleone, S., Ceccarelli, C., Ugliengo, P.

Computer generated realistic interstellar icy grain models: Physicochemical properties and interaction with NH3


ACS Earth Space Chem. 2022, in press


  1. Santalucia, R., Pazzi, M., Bonino, F., Signorile, M., Scarano, D., Ugliengo, P., Spoto, G., Mino, L.

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


https://www.mdpi.com/1420-3049/27/7/229


  1. Minissale, M., Aikawa, Y., Bergin, E., and 16 more

Thermal Desorption of Interstellar Ices: A Review on the Controlling Parameters and Their Implications from Snowlines to Chemical Complexity


ACS Earth Space Chem. 2022, 6, 3, 597–630


  1. Valença Ferreira de Aragão, E., Mancini, L., Faginas-Lago, N., Rosi, M., Skouteris, D., Pirani, F.

Semimpirical Potential in Kinetics Calculations on the HC3N + CN Reaction


https://www.mdpi.com/1420-3049/27/7/2297


  1. Zhou, C., Vastel, C., Montillaud, J., Ceccarelli, C., Demyk, K., Harju, J., Juvela, M., Ristorcelli, I., Liu, T.

Chemical exploration of Galactic cold cores


2022A&A...658A.131Z


  1. Ohashi, S., Codella, C., Sakai, N., and 69 more


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


2022ApJ...927...54O


  1. Keil, M., Viti, S., Holdship, J.


UCLCHEMCMC: A MCMC Inference tool for Physical Parameters of Molecular Clouds


2022ApJ...927..203K


  1. Chahine, L. López-Sepulcre, A., Neri, R., Ceccarelli, C., Mercimek, S., Codella, C., Bouvier, M., Bianchi, E., Favre, C., Podio, L., Alves, F.O., Sakai, N., Yamamoto, S.

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


2022A&A...657A..78C


  1. De Simone, M., Codella, C., Ceccarelli, C., López-Sepulcre, A., Neri, R., Rivera-Ortiz, P. R., Busquet, G., Caselli, P., Bianchi, E., Fontani, F., Lefloch, B., Oya, Y., Pineda, J.E.

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


2022MNRAS.tmp..124D


  1. Remijan, A., Xue, C., Margulès, A., Belloche, A., Motiyenko, R.A., Carder, J., Codella, C., Balucani, N., Brogan, C.L., Ceccarelli, C., Hunter, T.R., Maris, A., Melandri, S., Siebert, M., McGuire, B.A.

Expanding the submillimeter wave spectroscopy and astronomical search for thioacetamide (CH3CSNH2) in the ISM


2022A&A...658A..85R


  1. Evans, L., Fontani, F., Vastel, C., Ceccarelli, C., Caselli, P., López-Sepulcre, A., Neri, R., Alves, F., Chahine, L., Favre, C., Lattanzi, V.

Nitrogen Fractonation towards the Protocluster OMC-2 FIR4. SOLIS XIII


2022A&A...657.136E


  1. Mercimek, S., Codella, C., Podio, L., Bianchi, E., Chahine, L., Bouvier, M., López-Sepulcre, A., Neri, R., Ceccarelli, C.

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


2022A&A...659A..67M

2021



  1. J. Enrique-Romero, C. Ceccarelli, A. Rimola, D. Skouteris, N. Balucani, P. Ugliengo

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

2021A&A...655..A9


  1. S. Pantaleone, M. Corno, A. Rimola, N. Balucani, P. Ugliengo

Ab-initio computational study on Fe2NiP schreibersite: bulk and surface characterization

2021ACS Earth and Space Chemistry, 5, 1741-1751


  1. S. Pantaleone, J. Enrique-Romero, C. Ceccarelli, S. Ferrero, N. Balucani, A. Rimola, P. Ugliengo.

H2 formation on interstellar grains and the fate of reaction energy

2021ApJ..917....49


  1. J. Perrero, A. Rimola, P. Ugliengo, M. Corno

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

2021 Computational Science and Its Applications – ICCSA 2021 (Editors: O. Gervasi et al.). Lecture Notes in Computer Science, volume 12953. Springer, Cham., 608-619


  1. Mancini, L., Vanuzzo, G., Marchione, D., Pannacci, G., Liang, P., Recio, P., Rosi, M., Skouteris, D., Casavecchia, P., Balucani, N.

The Reaction N(2D) + CH3CCH (Methylacetylene): A Combined Crossed Molecular Beams and Theoretical Investigation and Implications for the Atmosphere of Titan


The Journal of Physical Chemistry A, 125, 2021


  1. Codella, C., C. Ceccarelli, C. Chandler, N. Sakai, S. Yamamoto, and the FAUST team

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

Frontiers Astronomy and Space Sciences

2021FrASS...8..227C


  1. Richardson, V., Ascenzi, D., Sundelin, D., Alcaraz, C., Romanzin, C, Thyssen, R., Guillemin, J.-C., Polášek, M., Tosi, P., Žabka, J., Geppert, W.

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



  1. Codella, C., Bianchi, E., Podio, L., Mercimek, S., Ceccarelli, C., López-Sepulcre, A., Bachiller, R., Caselli, P., Sakai, N., Neri, R., Fontani, F., Favre, C., Balucani, N., Lefloch, B., Viti, S., Yamamoto, S.

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


2021A&A...654A..52C


  1. Tinacci, L., Pantaleone, S., Maranzana, A., Balucani, N., Ceccarelli, C., Ugliengo, P.

Structures and Properties of Known and Postulated Interstellar Cations

2021ApJS..256...35T


  1. Valença Ferreira de Aragão, E., Faginas-Lago, N., Rosi, M., Mancini, L., Balucani, N., Skouteris, D.

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

https://arxiv.org/abs/2107.06003


  1. Rimola, A., Ceccarelli, C., Balucani, N., Ugliengo, P.

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

https://www.frontiersin.org/articles/10.3389/fspas.2021.655405/full


  1. Mariñoso Guiu, J., Ferrero, S., Macià Escatllar, A., Rimola, A., Bromley, S.T.

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

https://www.frontiersin.org/articles/10.3389/fspas.2021.676548/full


  1. Sundelin D., Ascenzi, D., V. Richardson, V., and 7 more

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

https://doi.org/10.1016/j.cplett.2021.138677


  1. Richardson, V., C. Alcaraz, C., Geppert, W.D., and 7 more

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


https://doi.org/10.1016/j.cplett.2021.138611


  1. Kruczkiewicz, F., Vitorino, J., Congiu, E., Theulé, P., Dulieu, F.

Ammonia snow-lines and ammonium salts desorption

arXiv:2104.10464


  1. James, T.A., Viti, S., Yusef-Zadeh, F., Royster, M., Wardle, M.

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

2021ApJ...916...69J


  1. Podio, L., Tabone, B., Codella, C., and 10 more

The CALYPSO IRAM-PdBI survey of jets from Class 0 protostars. Exploring whether jets are ubiquitous in young stars

2021A&A...648A..45P


  1. Okoda, Y., Oya, Y., Francis, L., and 66 more

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

2021ApJ...910...11O


  1. Benedettini, M., Viti, S., Codella, C., and 11 more

Seeds of Life in Space (SOLIS). XI. First measurement of nitrogen fractionation in shocked clumps of the L1157 protostellar outflow

2021A&A...645A..91B


  1. Garufi, A., Podio, L., Codella, C., and 9 more

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

2021A&A...645A.145G

2020


  1. Rimola A., Ferrero, S., Germain A., Corno M., Ugliengo P.

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

https://www.mdpi.com/2075-163X/11/1/26


  1. Ferrero, S., Martínez-Bachs, B., Enrique-Romero, J., Rimola A.

Adsorption of Atoms on a Crystalline Ice Surface Model: Results from Periodic ab Initio Simulations

https://link.springer.com/chapter/10.1007%2F978-3-030-58814-4_41


  1. Ferrero, S., Zamirri, L., Ceccarelli, C., and 3 more

Binding energies of interstellar molecules on crystalline and amorphous models of water ice by ab-initio calculations


2020ApJ...904...11F


  1. Codella, C., Podio, L., Garufi, A., and 10 more

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

2020A&A...644A.120C


  1. Podio, L., Garufi, A., Codella, C., and 9 more

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

2020A&A...644A.119P


  1. Valença Ferreira de Aragão, E., Faginas-Lago, N., Rosi, M., and 3 more

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

In: Gervasi O. et al. (eds) Computational Science and Its Applications – ICCSA 2020. ICCSA 2020. Lecture Notes in Computer Science, vol 12251. Springer, Cham. https://doi.org/10.1007/978-3-030-58808-3_51


7. Valença Ferreira de Aragão, E., Faginas-Lago, N., Rosi, M., and 2 more

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

In: Gervasi O. et al. (eds) Computational Science and Its Applications – ICCSA 2020. ICCSA 2020. Lecture Notes in Computer Science, vol 12251. Springer, Cham. https://link.springer.com/chapter/10.1007/978-3-030-58820-5_38


8. Heyl, J., Viti, S., Holdship, J., Feeney, S.M.

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

2020ApJ...904..197H


9. Podio, L., Garufi, A., Codella, C., and 8 more

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

2020A&A...642L...7P


10. Garufi, A.; Podio, L.; Codella, C., and 7 more

ALMA chemical survey of disk-outflow sources in Taurus (ALMA-DOT). I. CO, CS, CN, and H2CO around DG Tau B

2020A&A...636A..65G


11. Pantaleone, S.; Enrique-Romero, J.; Ceccarelli, C., and 3 more

Chemical desorption versus energy dissipation: insights from ab-initio molecular dynamics of HCO formation

2020ApJ...897...56P


12. Taquet, V.; Codella, C.; De Simone, M., and 43 more

Seeds of Life in Space (SOLIS). VI. Chemical evolution of sulfuretted species along the outflows driven by the low-mass protostellar binary NGC 1333-IRAS4A

2020A&A...637A..63T


13. Spezzano, S.; Codella, C.; Podio, L. and 4 more

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

2020A&A...640A..74S


14. Enrique-Romero, J., Álvarez-Barcia, S., Kolb, F.J. and 7 more

Revisiting the reactivity between HCO and CH3 on interstellar grain surfaces

2020MNRAS.493.2523E


15. Bouvier, M., López-Sepulcre, A., Ceccarelli, C. and 5 more

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

2020A&A...636A..19B


16. Germain, A.; Ugliengo, P.

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

https://link.springer.com/chapter/10.1007%2F978-3-030-58814-4_62


17. Bianchi, E.; Chandler, C. J.; Ceccarelli, C.; Codella, C.; Sakai, N.; López-Sepulcre, A.; and 60 more

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

https://academic.oup.com/mnrasl/article-abstract/498/1/L87/5874261?redirectedFrom=fulltext

2019


1. Urso, R. G.; Palumbo, M. E.; Ceccarelli, C., and 16 more

C2O and C3O in low-mass star-forming regions

2019A&A...628A..72U


2. Codella, C.; Ceccarelli, C.; Lee, C.-F., and 8 more

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

2019ECS.....3.2110C


3. López-Sepulcre, A.; Balucani, N.; Ceccarelli, C., and 3 more

Interstellar Formamide (NH2CHO), a Key Prebiotic Precursor

2019ECS.....3.2122L


4. Taquet, V.; Bianchi, E.; Codella, C., and 7 more

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

2019A&A...632A..19T


5. Bianchi, E.; Ceccarelli, C.; Codella, C., and 3 more

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

2019ECS.....3.2659B


6. Enrique-Romero, J.; Rimola, A.; Ceccarelli, C.; Ugliengo, P.; Balucani, N.; Skouteris D.

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

https://pubs.acs.org/doi/10.1021/acsearthspacechem.9b00156