Quantum-driven phase transition in ice described via an efficient Langevin approach von Bronstein, Yael, Depondt, Philippe, Finocchi, Fabio, Saitta, Antonino Marco

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Effect of salt on the H-bond symmetrization in ice von Bove, Livia Eleonora, Richard Gaal, Zamaan Raza, Adriaan-Alexander Ludl, Stefan Klotz, Antonino Marco Saitta, Alexander F. Goncharov, Philippe Gillet

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Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios von Pietrucci, Fabio, Saitta, Antonino Marco

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Miller experiments in atomistic computer simulations von Saitta, Antonino Marco, Saija, Franz

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Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer von Mouhat, Félix, Peria, Matteo, Morresi, Tommaso, Vuilleumier, Rodolphe, Saitta, Antonino Marco, Casula, Michele

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Formation of nucleobases in a Miller–Urey reducing atmosphere von Ferus, Martin, Pietrucci, Fabio, Saitta, Antonino Marco, Knížek, Antonín, Kubelík, Petr, Ivanek, Ondřej, Shestivska, Violetta, Civiš, Svatopluk

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Sulfur radical species form gold deposits on Earth von Pokrovski, Gleb S., Kokh, Maria A., Guillaume, Damien, Borisova, Anastassia Y., Gisquet, Pascal, Hazemann, Jean-Louis, Lahera, Eric, Del Net, William, Proux, Olivier, Testemale, Denis, Haigis, Volker, Jonchière, Romain, Seitsonen, Ari P., Ferlat, Guillaume, Vuilleumier, Rodolphe, Saitta, Antonino Marco, Boiron, Marie-Christine, Dubessy, Jean

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The trisulfur radical ion S₃•− controls platinum transport by hydrothermal fluids von Pokrovski, Gleb S., Kokh, Maria A., Desmaele, Elsa, Laskar, Clément, Bazarkina, Elena F., Testemale, Denis, Hazemann, Jean-Louis, Vuilleumier, Rodolphe, Ferlat, Guillaume, Saitta, Antonino Marco

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Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001) von Laporte, Sara, Finocchi, Fabio, Paulatto, Lorenzo, Blanchard, Marc, Balan, Etienne, Guyot, François, Saitta, Antonino Marco

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Reply to Bada and Cleaves: Ab initio free-energy landscape of Miller-like prebiotic reactions von Saitta, Antonino Marco, Saija, Franz, Pietrucci, Fabio, Guyot, François

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Quantum versus classical protons in pure and salty ice under pressure von Bronstein, Yael, Depondt, Philippe, Bove, Livia E., Gaal, Richard, Saitta, Antonino Marco, Finocchi, Fabio

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Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model von Kroonblawd, Matthew P, Pietrucci, Fabio, Saitta, Antonino Marco, Goldman, Nir

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Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics von Mouhat, Félix, Sorella, Sandro, Vuilleumier, Rodolphe, Saitta, Antonino Marco, Casula, Michele

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Six-fold-coordinated phosphorus by oxygen in AlPO4 quartz homeotype under high pressure von Pellicer-Porres, Julio, Saitta, Antonino Marco, Polian, Alain, Itié, Jean Paul, Hanfland, Michael

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Synthesis of RNA Nucleotides in Plausible Prebiotic Conditions from ab Initio Computer Simulations von Pérez-Villa, Andrea, Saitta, A. Marco, Georgelin, Thomas, Lambert, Jean-François, Guyot, François, Maurel, Marie-Christine, Pietrucci, Fabio

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Proton disorder and superionicity in hot dense ammonia ice von Ninet, S, Datchi, F, Saitta, A M

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The trisulfur radical ion S 3 •- controls platinum transport by hydrothermal fluids von Pokrovski, Gleb S, Kokh, Maria A, Desmaele, Elsa, Laskar, Clément, Bazarkina, Elena F, Borisova, Anastassia Y, Testemale, Denis, Hazemann, Jean-Louis, Vuilleumier, Rodolphe, Ferlat, Guillaume, Saitta, Antonino Marco

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Strong electric fields at a prototypical oxide/water interface probed by ab initiomolecular dynamics: MgO(001) von Laporte, Sara, Finocchi, Fabio, Paulatto, Lorenzo, Blanchard, Marc, Balan, Etienne, Guyot, Francois, Saitta, Antonino Marco

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Generating converged accurate free energy surfaces for chemical reactions with a force-matched semi-empirical model von Kroonblawd, Matthew P, Pietrucci, Fabio, Saitta, Antonino Marco, Goldman, Nir

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Effect of salt on the H-bond symmetrization in ice von Bove, Livia Eleonora, Gaal, Richard, Raza, Zamaan, Ludl, Adriaan-Alexander, Klotz, Stefan, Saitta, Antonino Marco, Goncharov, Alexander F., Gillet, Philippe

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