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Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles: A Quantum Mechanical Investigation 2022 Perrero, J; Enrique-Romero, J; Ferrero, S; Ceccarelli, C; Podio, L; Codella, C; Rimola, A; Ugliengo, P
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.
Water Interaction with Fe2NiP Schreibersite (110) Surface: A Quantum Mechanical Atomistic Perspective 2022 Pantaleone S.; Corno M.; Rimola A.; Balucani N.; Ugliengo P.
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.
Acetaldehyde binding energies: a coupled experimental and theoretical study 2022 S Ferrero; F Grieco; A-S Ibrahim??Mohamed; F Dulieu; A Rimola; C Ceccarelli; C Nervi; M Minissale; P Ugliengo
Structures and properties of known and postulated interstellar cations 2021 Tinacci L.; Pantaleone S.; Maranzana A.; Balucani N.; Ceccarelli C.; 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.
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.
Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization 2021 Pantaleone S.; Corno M.; Rimola A.; Balucani N.; 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.
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 Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models 2021 Perrero J.; Rimola A.; Corno M.; Ugliengo P.
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.
CHAPTER 13: The Birth and Fate of Glycine: The the Interstellar Medium to Primitive Earth 2021 Rimola A.; Sodupe M.; Ugliengo P.
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.
Balancing Cost and Accuracy in Quantum Mechanical Simulations on Collagen Protein Models 2021 Cutini M.; Bechis I.; Corno M.; Ugliengo P.
Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region 2021 Cutini, Michele; Ugliengo, Piero
Seeds of Life in Space (SOLIS): VII. Discovery of a cold dense methanol blob toward the L1521F VeLLO system 2020 Favre C.; Vastel C.; Jimenez-Serra I.; Quenard D.; Caselli P.; Ceccarelli C.; Chacon-Tanarro A.; Fontani F.; Holdship J.; Oya Y.; Punanova A.; Sakai N.; Spezzano S.; Yamamoto S.; Neri R.; Lopez-Sepulcre A.; Alves F.; Bachiller R.; Balucani N.; Bianchi E.; Bizzocchi L.; Codella C.; Caux E.; De Simone M.; Enrique Romero J.; Dulieu F.; Feng S.; Jaber Al-Edhari A.; Lefloch B.; Ospina-Zamudio J.; Pineda J.; Podio L.; Rimola A.; Segura-Cox D.; Sims I.R.; Taquet V.; Testi L.; Theule P.; Ugliengo P.; Vasyunin A.I.; Vazart F.; Viti S.; Witzel A.
Nearly free surface silanols are the critical molecular moieties that initiate the toxicity of silica particles 2020 Pavan, Cristina; Santalucia, Rosangela; Leinardi, Riccardo; Fabbiani, Marco; Yakoub, Yousof; Uwambayinema, Francine; Ugliengo, Piero; Tomatis, Maura; Martra, Gianmario; Turci, Francesco; Lison, Dominique; Fubini, Bice
Revisiting the reactivity between HCO and CH3 on interstellar grain surfaces 2020 Enrique-Romero J.; Alvarez-Barcia S.; Kolb F.J.; Rimola A.; Ceccarelli C.; Balucani N.; Meisner J.; Ugliengo P.; Lamberts T.; Kastner J.
Mostrati risultati da 21 a 40 di 342
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