Sfoglia per Autore
Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry
2025-01-01 Bancone, Niccolò; Pantaleone, Stefano; Ugliengo, Piero; Rimola, Albert; Corno, Marta
IR and Raman spectra of Glycerol: a computational study
2025-01-01 Alessandro Damin, Stefano Pantaleone, Piero Ugliengo, Daniele Motta, Stefano Nejrotti, Claudia Barolo, and Matteo Bonomo
Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation?
2025-01-01 Bariosco, Vittorio; Tinacci, Lorenzo; Pantaleone, Stefano; Ceccarelli, Cecilia; Rimola, Albert; Ugliengo, Piero
The Prebiotic Pathway from P-Bearing Iron Meteorites to Phosphates by DFT Modeling
2025-01-01 Pantaleone, Stefano; Corno, Marta; Rimola, Albert; Balucani, Nadia; Ugliengo, Piero
Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations
2024-01-01 Martínez-Bachs, Berta; Ferrero, Stefano; Ceccarelli, Cecilia; Ugliengo, Piero; Rimola, Albert
The binding energy distribution of H2S: why it is not the major sulphur reservoir of the interstellar ices
2024-01-01 Bariosco, Vittorio; Pantaleone, Stefano; Ceccarelli, Cecilia; Rimola, Albert; Balucani, Nadia; Corno, Marta; Ugliengo, Piero
FAUST XVII. Super deuteration in the planet-forming system IRS 63 where the streamer strikes the disk
2024-01-01 Podio, L.; Ceccarelli, C.; Codella, C.; Sabatini, G.; Segura-Cox, D.; Balucani, N.; Rimola, A.; Ugliengo, P.; Chandler, C. J.; Sakai, N.; Svoboda, B.; Pineda, J.; De Simone, M.; Bianchi, E.; Caselli, P.; Isella, A.; Aikawa, Y.; Bouvier, M.; Caux, E.; Chahine, L.; Charnley, S. B.; Cuello, N.; Dulieu, F.; Evans, L.; Fedele, D.; Feng, S.; Fontani, F.; Hama, T.; Hanawa, T.; Herbst, E.; Hirota, T.; Jiménez-Serra, I.; Johnstone, D.; Lefloch, B.; Le Gal, R.; Loinard, L.; Baobab Liu, H.; López-Sepulcre, A.; Maud, L. T.; Maureira, M. J.; Menard, F.; Miotello, A.; Moellenbrock, G.; Nomura, H.; Oba, Y.; Ohashi, S.; Okoda, Y.; Oya, Y.; Sakai, T.; Shirley, Y.; Testi, L.; Vastel, C.; Viti, S.; Watanabe, N.; Watanabe, Y.; Zhang, Y.; Zhang, Z. E.; Yamamoto, S.
Formation of Interstellar Complex Organic Molecules on Water-rich Ices Triggered by Atomic Carbon Freezing
2024-01-01 Ferrero, Stefano; Ceccarelli, Cecilia; Ugliengo, Piero; Sodupe, Mariona; Rimola, Albert
Atomistic Insights on Prebiotic Phosphorylation of Methanol from Schreibersite (Fe2NiP) Corrosion: Ab Initio Computational Study
2024-01-01 Pantaleone, Stefano; De Gasperis, Giulia; Corno, Marta; Rimola, Albert; Balucani, Nadia; Ugliengo, Piero
Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling
2024-01-01 Bancone, Niccolò; Santalucia, Rosangela; Pantaleone, Stefano; Ugliengo, Piero; Mino, Lorenzo; Rimola, Albert; Corno, Marta
Binding Energies and Vibrational Spectral Features of Sn Species on Amorphous Water-ice Mantles: A Quantum Mechanical Study
2024-01-01 Perrero, Jessica; Beitia-Antero, Leire; Fuente, Asunción; Ugliengo, Piero; Rimola, Albert
Disclosing the true atomic structure of {001} facets in shape-engineered TiO2 anatase nanoparticles
2024-01-01 Pantaleone S.; Pellegrino F.; Maurino V.; Corno M.; Ugliengo P.; Mino L.
Theoretical modelling of the adsorption of neutral and charged sulphur-bearing species on to olivine nanoclusters
2024-01-01 Perrero, Jessica; Beitia-Antero, Leire; Fuente, Asunción; Ugliengo, Piero; Rimola, Albert
Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments
2024-01-01 Perrero, Jessica; Vitorino, Julie; Congiu, Emanuele; Ugliengo, Piero; Rimola, Albert; Dulieu, François
The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic
2023-01-01 Tinacci, L; Ferrada-Chamorro, S; Ceccarelli, C; Pantaleone, S; Ascenzi, D; Maranzana, A; Balucani, N; Ugliengo, P
Quantum mechanical modelling of the grain-surface formation of acetaldehyde on H2O:CO dirty ice surfaces
2023-01-01 Perrero, J; Ugliengo, P; Ceccarelli, C; Rimola, A
Formation of Complex Organic Molecules on Interstellar CO Ices? Insights from Computational Chemistry Simulations
2023-01-01 Stefano Ferrero; Cecilia Ceccarelli; Piero Ugliengo; Mariona Sodupe; Albert Rimola
Theoretical Water Binding Energy Distribution and Snowline in Protoplanetary Disks
2023-01-01 Tinacci, L; Germain, A; Pantaleone, S; Ceccarelli, C; Balucani, N; Ugliengo, P
Physico-Chemical Approaches to Investigate Surface Hydroxyls as Determinants of Molecular Initiating Events in Oxide Particle Toxicity
2023-01-01 Pavan, Cristina; Santalucia, Rosangela; Escolano-Casado, Guillermo; Ugliengo, Piero; Mino, Lorenzo; Turci, Francesco
Where Does the Energy Go during the Interstellar NH 3 Formation on Water Ice? A Computational Study
2023-01-01 Stefano Ferrero; Stefano Pantaleone; Cecilia Ceccarelli; Piero Ugliengo; Mariona Sodupe; Albert Rimola
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry | 2025 | Bancone, Niccolò; Pantaleone, Stefano; Ugliengo, Piero; Rimola, Albert; Corno, Marta | |
| IR and Raman spectra of Glycerol: a computational study | 2025 | Alessandro Damin, Stefano Pantaleone, Piero Ugliengo, Daniele Motta, Stefano Nejrotti, Claudia Barolo, and Matteo Bonomo | |
| Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation? | 2025 | Bariosco, Vittorio; Tinacci, Lorenzo; Pantaleone, Stefano; Ceccarelli, Cecilia; Rimola, Albert; Ugliengo, Piero | |
| The Prebiotic Pathway from P-Bearing Iron Meteorites to Phosphates by DFT Modeling | 2025 | Pantaleone, Stefano; Corno, Marta; Rimola, Albert; Balucani, Nadia; Ugliengo, Piero | |
| Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations | 2024 | Martínez-Bachs, Berta; Ferrero, Stefano; Ceccarelli, Cecilia; Ugliengo, Piero; Rimola, Albert | |
| The binding energy distribution of H2S: why it is not the major sulphur reservoir of the interstellar ices | 2024 | Bariosco, Vittorio; Pantaleone, Stefano; Ceccarelli, Cecilia; Rimola, Albert; Balucani, Nadia; Corno, Marta; Ugliengo, Piero | |
| FAUST XVII. Super deuteration in the planet-forming system IRS 63 where the streamer strikes the disk | 2024 | Podio, L.; Ceccarelli, C.; Codella, C.; Sabatini, G.; Segura-Cox, D.; Balucani, N.; Rimola, A.; Ugliengo, P.; Chandler, C. J.; Sakai, N.; Svoboda, B.; Pineda, J.; De Simone, M.; Bianchi, E.; Caselli, P.; Isella, A.; Aikawa, Y.; Bouvier, M.; Caux, E.; Chahine, L.; Charnley, S. B.; Cuello, N.; Dulieu, F.; Evans, L.; Fedele, D.; Feng, S.; Fontani, F.; Hama, T.; Hanawa, T.; Herbst, E.; Hirota, T.; Jiménez-Serra, I.; Johnstone, D.; Lefloch, B.; Le Gal, R.; Loinard, L.; Baobab Liu, H.; López-Sepulcre, A.; Maud, L. T.; Maureira, M. J.; Menard, F.; Miotello, A.; Moellenbrock, G.; Nomura, H.; Oba, Y.; Ohashi, S.; Okoda, Y.; Oya, Y.; Sakai, T.; Shirley, Y.; Testi, L.; Vastel, C.; Viti, S.; Watanabe, N.; Watanabe, Y.; Zhang, Y.; Zhang, Z. E.; Yamamoto, S. | |
| Formation of Interstellar Complex Organic Molecules on Water-rich Ices Triggered by Atomic Carbon Freezing | 2024 | Ferrero, Stefano; Ceccarelli, Cecilia; Ugliengo, Piero; Sodupe, Mariona; Rimola, Albert | |
| Atomistic Insights on Prebiotic Phosphorylation of Methanol from Schreibersite (Fe2NiP) Corrosion: Ab Initio Computational Study | 2024 | Pantaleone, Stefano; De Gasperis, Giulia; Corno, Marta; Rimola, Albert; Balucani, Nadia; Ugliengo, Piero | |
| Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling | 2024 | Bancone, Niccolò; Santalucia, Rosangela; Pantaleone, Stefano; Ugliengo, Piero; Mino, Lorenzo; Rimola, Albert; Corno, Marta | |
| Binding Energies and Vibrational Spectral Features of Sn Species on Amorphous Water-ice Mantles: A Quantum Mechanical Study | 2024 | Perrero, Jessica; Beitia-Antero, Leire; Fuente, Asunción; Ugliengo, Piero; Rimola, Albert | |
| Disclosing the true atomic structure of {001} facets in shape-engineered TiO2 anatase nanoparticles | 2024 | Pantaleone S.; Pellegrino F.; Maurino V.; Corno M.; Ugliengo P.; Mino L. | |
| Theoretical modelling of the adsorption of neutral and charged sulphur-bearing species on to olivine nanoclusters | 2024 | Perrero, Jessica; Beitia-Antero, Leire; Fuente, Asunción; Ugliengo, Piero; Rimola, Albert | |
| Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments | 2024 | Perrero, Jessica; Vitorino, Julie; Congiu, Emanuele; Ugliengo, Piero; Rimola, Albert; Dulieu, François | |
| The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic | 2023 | Tinacci, L; Ferrada-Chamorro, S; Ceccarelli, C; Pantaleone, S; Ascenzi, D; Maranzana, A; Balucani, N; Ugliengo, P | |
| Quantum mechanical modelling of the grain-surface formation of acetaldehyde on H2O:CO dirty ice surfaces | 2023 | Perrero, J; Ugliengo, P; Ceccarelli, C; Rimola, A | |
| Formation of Complex Organic Molecules on Interstellar CO Ices? Insights from Computational Chemistry Simulations | 2023 | Stefano Ferrero; Cecilia Ceccarelli; Piero Ugliengo; Mariona Sodupe; Albert Rimola | |
| Theoretical Water Binding Energy Distribution and Snowline in Protoplanetary Disks | 2023 | Tinacci, L; Germain, A; Pantaleone, S; Ceccarelli, C; Balucani, N; Ugliengo, P | |
| Physico-Chemical Approaches to Investigate Surface Hydroxyls as Determinants of Molecular Initiating Events in Oxide Particle Toxicity | 2023 | Pavan, Cristina; Santalucia, Rosangela; Escolano-Casado, Guillermo; Ugliengo, Piero; Mino, Lorenzo; Turci, Francesco | |
| Where Does the Energy Go during the Interstellar NH 3 Formation on Water Ice? A Computational Study | 2023 | Stefano Ferrero; Stefano Pantaleone; Cecilia Ceccarelli; Piero Ugliengo; Mariona Sodupe; Albert Rimola |
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