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17 p, 2.9 MB |
V. Hot methanol in the [BHB2007] 11 protobinary system; Hot corino versus shock origin
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Vastel, C. (Université de Toulouse) ;
Alves, F. (Université Grenoble Alpes) ;
Ceccarelli, Cecilia (Université Grenoble Alpes) ;
Bouvier, M. (Université Grenoble Alpes) ;
Jiménez-Serra, I. (Centro de Astrobiología (Madrid)) ;
Sakai, T. (University of Electro-Communications) ;
Caselli, P. (Max Planck Institute for Extraterrestrial Physics) ;
Evans, L. (Université de Toulouse) ;
Fontani, F. (Osservatorio Astrofisico Di Arcetri) ;
Le Gal, R. (Institute for Planetary sciences and Astrophysics) ;
Chandler, C. J. (National Radio Astronomy Observatory Socorro) ;
Svoboda, B. (National Radio Astronomy Observatory Socorro) ;
Maud, L. (ESO Supernova Planetarium & Visitor Centre) ;
Codella, Claudio (Institute for Planetary sciences and Astrophysics) ;
Sakai, N. (RIKEN) ;
López-Sepulcre, A. (Institute for Planetary sciences and Astrophysics) ;
Moellenbrock, G. (National Radio Astronomy Observatory Socorro) ;
Aikawa, Y. (The University of Tokyo) ;
Balucani, Nadia (Università degli studi di Perugia) ;
Bianchi, E. (Institute for Planetary sciences and Astrophysics) ;
Busquet, G. (Universitat de Barcelona) ;
Caux, E. (Université de Toulouse) ;
Charnley, S. (NASA Goddard Space Flight Center) ;
Cuello, N. (Institute for Planetary sciences and Astrophysics) ;
De Simone, M. (Institute for Planetary sciences and Astrophysics) ;
Dulieu, F. (CY Cergy Paris Université) ;
Durán, A. (Instituto de Radioastronomía y Astrofísica) ;
Fedele, D. (Osservatorio Astrofisico Di Arcetri) ;
Feng, S. (Xiamen University) ;
Francis, L. (University of Victoria BC) ;
Hama, T. (The University of Tokyo) ;
Hanawa, T. (Chiba University. Center for Frontier Science) ;
Herbst, E. (University of Virginia) ;
Hirota, T. (National Astronomical Observatories) ;
Imai, M. (The University of Tokyo) ;
Isella, A. (Rice University) ;
Johnstone, D. (University of Victoria BC) ;
Lefloch, B. (Institute for Planetary sciences and Astrophysics) ;
Loinard, L. (Universidad Nacional Autónoma de México. Instituto de Radioastronomía y Astrofísica) ;
Maureira, M. (Max Planck Institute for Extraterrestrial Physics) ;
Murillo, N. M. (RIKEN) ;
Mercimek, S. (Osservatorio Astrofisico Di Arcetri) ;
Mori, S. (Tohoku University) ;
Menard, F. (Institute for Planetary sciences and Astrophysics) ;
Miotello, A. (ESO Supernova Planetarium & Visitor Centre) ;
Nakatani, R. (RIKEN) ;
Nomura, H. (Chinese Academy of Sciences) ;
Oba, Y. (Hokkaido University) ;
Ohashi, S. (RIKEN) ;
Okoda, Y. (The University of Tokyo) ;
Ospina-Zamudio, J. (Institute for Planetary sciences and Astrophysics) ;
Oya, Y. (The University of Tokyo) ;
Pineda, J. E. (Max Planck Institute for Extraterrestrial Physics) ;
Podio, L. (Osservatorio Astrofisico Di Arcetri) ;
Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ;
Cox, D. Segura (Max Planck Institute for Extraterrestrial Physics) ;
Shirley, Y. (University of Arizona) ;
Testi, L. (Osservatorio Astrofisico Di Arcetri) ;
Viti, S. (University of Leiden) ;
Watanabe, N. (Hokkaido University) ;
Watanabe, Y. (Shibaura Institute of Technology) ;
Witzel, A. (Institute for Planetary sciences and Astrophysics) ;
Xue, C. (University of Virginia) ;
Zhang, Y. (RIKEN) ;
Zhao, B. (Max Planck Institute for Extraterrestrial Physics) ;
Yamamoto, S. (The University of Tokyo)
Aims. Methanol is a ubiquitous species commonly found in the molecular interstellar medium. It is also a crucial seed species for the build-up of chemical complexity in star forming regions. Thus, understanding how its abundance evolves during the star formation process and whether it enriches the emerging planetary system is of paramount importance. [...]
2022 -  10.1051/0004-6361/202243414
Astronomy & astrophysics, Vol. 664 (August 2022) , art. A171
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16 p, 4.4 MB |
Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H2O Ices. A Computational Chemistry Study
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Perrero, Jessica (Universitat Autònoma de Barcelona. Departament de Química) ;
Enrique-Romero, Joan (Universitat Autònoma de Barcelona. Departament de Química) ;
Martínez-Bachs, Berta (Universitat Autònoma de Barcelona. Departament de Química) ;
Ceccarelli, Cecilia (Univiversità Grenoble Alpes. Institut de Planétologie et d'Astrophysique de Grenoble) ;
Balucani, Nadia (Università di Perugia. Dipartimento di Chimica, Biologia e Biotecnologie) ;
Ugliengo, Piero (Università Degli Studi di Torino. Dipartimento di Chimica) ;
Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química)
Ethanol (CHCHOH) is a relatively common molecule, often found in star-forming regions. Recent studies suggest that it could be a parent molecule of several so-called interstellar complex organic molecules (iCOMs). [...]
2022 - 10.1021/acsearthspacechem.1c00369
ACS Earth and Space Chemistry, Vol. 6, Issue 3 (March 2022) , p. 496-511
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3.
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36 p, 3.3 MB |
Tracing the Primordial Chemical Life of Glycine : a Review from Quantum Chemical Simulations
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Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ;
Balucani, Nadia (Università di Perugia) ;
Ceccarelli, Cecilia (Université Grenoble Alpes) ;
Ugliengo, Piero (Università degli Studi di Torino)
Glycine (Gly), NHCHCOOH, is the simplest amino acid. Although it has not been directly detected in the interstellar gas-phase medium, it has been identified in comets and meteorites, and its synthesis in these environments has been simulated in terrestrial laboratory experiments. [...]
2022 - 10.3390/ijms23084252
International journal of molecular sciences, Vol. 23 Núm. 8 (April 2022) , art. 4252
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4.
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10 p, 5.4 MB |
Water interaction with Fe2NiP Schreibersite (110) surface : a quantum mechanical atomistic perspective
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Pantaleone, Stefano (Università degli Studi di Torino. Dipartimento di Chimica) ;
Corno, Marta (Università degli Studi di Torino. Dipartimento di Chimica) ;
Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ;
Balucani, Nadia (Università di Perugia. Dipartimento di Chimica, Biologia e Biotecnologie) ;
Ugliengo, Piero (Università degli Studi di Torino. Dipartimento di Chimica)
Phosphorus is an element of primary importance for all living creatures, being present in many biological activities in the form of phosphate (PO43-). However, there are still open questions about the origin of this specific element and on the transformation that allowed it to be incorporated in biological systems. [...]
2022 - 10.1021/acs.jpcc.1c09947
Journal of physical chemistry. C, Vol. 126, Issue 4 (February 2022) , p. 2243-2252
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5.
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14 p, 4.7 MB |
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains
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Enrique-Romero, Joan (Universitat Autònoma de Barcelona. Departament de Química) ;
Ceccarelli, Cecilia (Centre National de la Recherche Scientifique. Université Grenoble Alpes. Institut de Planétologie et d'Astrophysique de Grenoble) ;
Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ;
Skouteris, Dimitrios (Master-Tech (Italy)) ;
Balucani, Nadia (Università di Perugia. Dipartimento di Chimica, Biologia e Biotecnologie) ;
Ugliengo, Piero (Università degli Studi di Torino. Dipartimento di Chimica)
Context: Interstellar grains are known to be important actors in the formation of interstellar molecules such as H2, water, ammonia, and methanol. It has been suggested that the so-called interstellar complex organic molecules (iCOMs) are also formed on the interstellar grain icy surfaces by the combination of radicals via reactions assumed to have an efficiency equal to unity. [...]
2021 - 10.1051/0004-6361/202141531
Astronomy & astrophysics, Vol. 655 (November 2021) , art. A9
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6.
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10 p, 3.9 MB |
Interaction of HCO+ cations with interstellar negative frains. Quantum chemical investigation and astrophysical implications
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Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ;
Ceccarelli, Cecilia (Centre National de la Recherche Scientifique. Université Grenoble Alpes. Institut de Planétologie et d'Astrophysique de Grenoble) ;
Balucani, Nadia (Università degli Studi di Perugia. Dipartimento di Chimica, Biologia e Biotecnologie) ;
Ugliengo, Piero (Università degli Studi di Torino. Dipartimento di Chimica and Nanostructured Interfaces and Surfaces Centre)
In cold galactic molecular clouds, dust grains are coated by icy mantles and are prevalently charged negatively, because of the capture of the electrons in the gas. The interaction of the charged grains with gaseous cations is known to neutralize them. [...]
2021 - 10.3389/fspas.2021.655405
Frontiers in Astronomy and Space Sciences, Vol. 8 (April 2021) , art. 655405
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7.
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42 p, 1.9 MB |
Ab-initio computational study on Fe2NiP schreibersite : bulk and surface characterization
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Pantaleone, Stefano (Università degli Studi di Torino. Dipartimento di Chimica) ;
Corno, Marta (Università degli Studi di Torino. Dipartimento di Chimica) ;
Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ;
Balucani, Nadia (Università degli Studi di Perugia. Dipartimento di Chimica, Biologia e Biotecnologie) ;
Ugliengo, Piero (Università degli Studi di Torino. Dipartimento di Chimica)
Phosphorus is ubiquitous in planet Earth and plays a fundamental role in all living systems. Finding a reasonable prebiotic source of phosphorus is not trivial, as common sources where it is present nowadays are in the form of phosphate minerals, which are rather insoluble and nonreactive materials, making it unavailable for ready incorporation in living organisms. [...]
2021 - 10.1021/acsearthspacechem.1c00083
ACS Earth and Space Chemistry, Vol. 5, Issue 7 (July 2021) , p. 1741-1751
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