Sfoglia per Autore
Thermal Desorption of Interstellar Ices: A Review on the Controlling Parameters and Their Implications from Snowlines to Chemical Complexity
2022-01-01 Minissale M.; Aikawa Y.; Bergin E.; Bertin M.; Brown W.A.; Cazaux S.; Charnley S.B.; Coutens A.; Cuppen H.M.; Guzman V.; Linnartz H.; McCoustra M.R.S.; Rimola A.; Schrauwen J.G.M.; Toubin C.; Ugliengo P.; Watanabe N.; Wakelam V.; Dulieu F.
From gaseous HCN to nucleobases at the cosmic silicate dust surface: an experimental insight into the onset of prebiotic chemistry in space
2022-01-01 Santalucia R.; Pazzi M.; Bonino F.; Signorile M.; Scarano D.; Ugliengo P.; Spoto G.; Mino L.
Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H2O Ices. A Computational Chemistry Study
2022-01-01 Perrero J.; Enrique-Romero J.; Martinez-Bachs B.; Ceccarelli C.; Balucani N.; Ugliengo P.; Rimola A.
Tracing the Primordial Chemical Life of Glycine: A Review from Quantum Chemical Simulations
2022-01-01 Rimola A.; Balucani N.; Ceccarelli C.; Ugliengo P.
Quantum Mechanical Simulations of the Radical-Radical Chemistry on Icy Surfaces
2022-01-01 Enrique-Romero J.; Rimola A.; Ceccarelli C.; Ugliengo P.; Balucani N.; Skouteris D.
Molecular recognition between membrane epitopes and nearly free surface silanols explains silica membranolytic activity
2022-01-01 Pavan C.; Sydor M.J.; Bellomo C.; Leinardi R.; Canana S.; Kendall R.L.; Rebba E.; Corno M.; Ugliengo P.; Mino L.; Holian A.; Turci F.
Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice
2021-01-01 Germain A.; Corno M.; Ugliengo P.
Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models
2021-01-01 Perrero J.; Rimola A.; Corno M.; Ugliengo P.
First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2(101) Anatase Surface Adopting a Full Periodic Approach
2021-01-01 Pantaleone S.; Rimola A.; Ugliengo P.; Sodupe M.
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains
2021-01-01 Enrique-Romero J.; Ceccarelli C.; Rimola A.; Skouteris D.; Balucani N.; Ugliengo P.
Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region
2021-01-01 Cutini, Michele; Ugliengo, Piero
Balancing Cost and Accuracy in Quantum Mechanical Simulations on Collagen Protein Models
2021-01-01 Cutini M.; Bechis I.; Corno M.; Ugliengo P.
H2 Formation on Interstellar Grains and the Fate of Reaction Energy
2021-01-01 Pantaleone S.; Enrique-Romero J.; Ceccarelli C.; Ferrero S.; Balucani N.; Rimola A.; Ugliengo P.
Structures and properties of known and postulated interstellar cations
2021-01-01 Tinacci L.; Pantaleone S.; Maranzana A.; Balucani N.; Ceccarelli C.; Ugliengo P.
CHAPTER 13: The Birth and Fate of Glycine: The the Interstellar Medium to Primitive Earth
2021-01-01 Rimola A.; Sodupe M.; Ugliengo P.
Interaction of HCO+ Cations With Interstellar Negative Grains. Quantum Chemical Investigation and Astrophysical Implications
2021-01-01 Rimola A.; Ceccarelli C.; Balucani N.; Ugliengo P.
Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization
2021-01-01 Pantaleone S.; Corno M.; Rimola A.; Balucani N.; Ugliengo P.
Computational surface modelling of ices and minerals of interstellar interest—insights and perspectives
2021-01-01 Rimola A.; Ferrero S.; Germain A.; Corno M.; Ugliengo P.
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
2020-01-01 Taquet V.; Codella C.; De Simone M.; Lopez-Sepulcre A.; Pineda J.E.; Segura-Cox D.; Ceccarelli C.; Caselli P.; Gusdorf A.; Persson M.V.; Alves F.; Caux E.; Favre C.; Fontani F.; Neri R.; Oya Y.; Sakai N.; Vastel C.; Yamamoto S.; Bachiller R.; Balucani N.; Bianchi E.; Bizzocchi L.; Chacon-Tanarro A.; Dulieu F.; Enrique-Romero J.; Feng S.; Holdship J.; Lefloch B.; Jaber Al-Edhari A.; Jimenez-Serra I.; Kahane C.; Lattanzi V.; Ospina-Zamudio J.; Podio L.; Punanova A.; Rimola A.; Sims I.R.; Spezzano S.; Testi L.; Theule P.; Ugliengo P.; Vasyunin A.I.; Vazart F.; Viti S.; Witzel A.
Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations
2020-01-01 Pantaleone S.; Rimola A.; Navarro-Ruiz J.; Mignon P.; Sodupe M.; Ugliengo P.; Balucani N.
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Thermal Desorption of Interstellar Ices: A Review on the Controlling Parameters and Their Implications from Snowlines to Chemical Complexity | 2022 | Minissale M.; Aikawa Y.; Bergin E.; Bertin M.; Brown W.A.; Cazaux S.; Charnley S.B.; Coutens A.; Cuppen H.M.; Guzman V.; Linnartz H.; McCoustra M.R.S.; Rimola A.; Schrauwen J.G.M.; Toubin C.; Ugliengo P.; Watanabe N.; Wakelam V.; Dulieu F. | |
From gaseous HCN to nucleobases at the cosmic silicate dust surface: an experimental insight into the onset of prebiotic chemistry in space | 2022 | Santalucia R.; Pazzi M.; Bonino F.; Signorile M.; Scarano D.; Ugliengo P.; Spoto G.; Mino L. | |
Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H2O Ices. A Computational Chemistry Study | 2022 | Perrero J.; Enrique-Romero J.; Martinez-Bachs B.; Ceccarelli C.; Balucani N.; Ugliengo P.; Rimola A. | |
Tracing the Primordial Chemical Life of Glycine: A Review from Quantum Chemical Simulations | 2022 | Rimola A.; Balucani N.; Ceccarelli C.; Ugliengo P. | |
Quantum Mechanical Simulations of the Radical-Radical Chemistry on Icy Surfaces | 2022 | Enrique-Romero J.; Rimola A.; Ceccarelli C.; Ugliengo P.; Balucani N.; Skouteris D. | |
Molecular recognition between membrane epitopes and nearly free surface silanols explains silica membranolytic activity | 2022 | Pavan C.; Sydor M.J.; Bellomo C.; Leinardi R.; Canana S.; Kendall R.L.; Rebba E.; Corno M.; Ugliengo P.; Mino L.; Holian A.; Turci F. | |
Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice | 2021 | Germain A.; Corno M.; Ugliengo P. | |
Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models | 2021 | Perrero J.; Rimola A.; Corno M.; Ugliengo P. | |
First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2(101) Anatase Surface Adopting a Full Periodic Approach | 2021 | Pantaleone S.; Rimola A.; Ugliengo P.; Sodupe M. | |
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains | 2021 | Enrique-Romero J.; Ceccarelli C.; Rimola A.; Skouteris D.; Balucani N.; Ugliengo P. | |
Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region | 2021 | Cutini, Michele; Ugliengo, Piero | |
Balancing Cost and Accuracy in Quantum Mechanical Simulations on Collagen Protein Models | 2021 | Cutini M.; Bechis I.; Corno M.; Ugliengo P. | |
H2 Formation on Interstellar Grains and the Fate of Reaction Energy | 2021 | Pantaleone S.; Enrique-Romero J.; Ceccarelli C.; Ferrero S.; Balucani N.; Rimola A.; Ugliengo P. | |
Structures and properties of known and postulated interstellar cations | 2021 | Tinacci L.; Pantaleone S.; Maranzana A.; Balucani N.; Ceccarelli C.; Ugliengo P. | |
CHAPTER 13: The Birth and Fate of Glycine: The the Interstellar Medium to Primitive Earth | 2021 | Rimola A.; Sodupe M.; Ugliengo P. | |
Interaction of HCO+ Cations With Interstellar Negative Grains. Quantum Chemical Investigation and Astrophysical Implications | 2021 | Rimola A.; Ceccarelli C.; Balucani N.; Ugliengo P. | |
Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization | 2021 | Pantaleone S.; Corno M.; Rimola A.; Balucani N.; Ugliengo P. | |
Computational surface modelling of ices and minerals of interstellar interest—insights and perspectives | 2021 | Rimola A.; Ferrero S.; Germain A.; Corno M.; Ugliengo P. | |
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 | 2020 | Taquet V.; Codella C.; De Simone M.; Lopez-Sepulcre A.; Pineda J.E.; Segura-Cox D.; Ceccarelli C.; Caselli P.; Gusdorf A.; Persson M.V.; Alves F.; Caux E.; Favre C.; Fontani F.; Neri R.; Oya Y.; Sakai N.; Vastel C.; Yamamoto S.; Bachiller R.; Balucani N.; Bianchi E.; Bizzocchi L.; Chacon-Tanarro A.; Dulieu F.; Enrique-Romero J.; Feng S.; Holdship J.; Lefloch B.; Jaber Al-Edhari A.; Jimenez-Serra I.; Kahane C.; Lattanzi V.; Ospina-Zamudio J.; Podio L.; Punanova A.; Rimola A.; Sims I.R.; Spezzano S.; Testi L.; Theule P.; Ugliengo P.; Vasyunin A.I.; Vazart F.; Viti S.; Witzel A. | |
Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations | 2020 | Pantaleone S.; Rimola A.; Navarro-Ruiz J.; Mignon P.; Sodupe M.; Ugliengo P.; Balucani N. |
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