SAIJA, FRANZ
SAIJA, FRANZ
Istituto per i Processi Chimico-Fisici - IPCF
Water Dimer under Electric Fields: An Ab Initio Investigation up to Quantum Accuracy
2024 Torre, M. F.; Amadeo, A.; Cassone, G.; Tommasini, M.; Mrazikova, K.; Saija, F.
Electric-field induced entropic effects in liquid water
2023 Nibali, Vc; Maiti, S; Saija, F; Heyden, M; Cassone, G
The Reactivity-Enhancing Role of Water Clusters in Ammonia Aqueous Solutions
2023 Cassone, G; Saija, F; Sponer, J; Shaik, S
A Computational Quantum-Based Perspective on the Molecular Origins of Life's Building Blocks
2022 Amante, G; Sponer, Je; Sponer, J; Saija, F; Cassone, G
Ab Initio Molecular Dynamics Studies of the Electric-Field-Induced Catalytic Effects on Liquids
2022 Cassone, G; Sponer, J; Saija, F
Ariel - a window to the origin of life on early earth?
2022 Ferus, M; Adam, V; Cassone, G; Civis, S; Cuba, V; Chatzitheodoridis, E; Drtinova, B; Lefloch, B; Heays, A; Jheeta, S; Kereszturi, A; Knizek, A; Krus, M; Kubelik, P; Lammer, H; Lenza, L; Nejdl, L; Pastorek, A; Petera, L; Rimmer, P; Saladino, R; Saija, F; Spross, L; Sponer, J; Sponer, J; Todd, Z; Vaculovicova, M; Zemankova, K; Chernov, V
Binding of Arsenic by Common Functional Groups: An Experimental and Quantum-Mechanical Study
2022 Chille, D; Mollicanardo, V; Giuffre, O; Ponterio, Rc; Saija, F; Sponer, J; Trusso, S; Cassone, G; Foti, C
Electrofreezing of Liquid Ammonia
2022 Cassone, G; Sponer, J; Sponer, J E; Saija, F
Formamide-Based Post-impact Thermal Prebiotic Synthesis in Simulated Craters: Intermediates, Products and Mechanism
2022 Ferus, M; Knizek, A; Petera, L; Pastorek, A; Hrncirova, J; Jankovic, L; Ivanek, O; Sponer, J; Krivkova, A; Saeidfirozeh, H; Civis, S; Chatzitheodoridis, E; Mrazikova, K; Nejdl, L; Saija, F; Sponer, Je; Cassone, G
Theory and equation of state of two-component nonadditive hard-disks: an application in the colloidal regime
2022 Pellicane, G; Lomba, E; Saija, F
Ab initio molecular dynamics simulations and experimental speciation study of levofloxacin under different pH conditions
2021 Previti, Emanuele; Foti, Claudia; Giuffre, Ottavia; Saija, Franz; Sponer, Jiri; Cassone, Giuseppe
Atomistic simulations of the free-energy landscapes of interstellar chemical reactions: the case of methyl isocyanate
2021 Cassone, Giuseppe; Saija, Franz; Sponer, Jiri; Sponer Judit, E; Jimenezescobar, Antonio; Ciaravella, Angela; Cecchipestellini, Cesare
Electric Field and Temperature Effects on the Ab Initio Spectroscopy of Liquid Methanol
2021 Cassone, Giuseppe; Trusso, Sebastiano; Sponer, Jiri; Saija, Franz
Interstellar chemical reactions toward the synthesis of the life's building blocks Comment on "Insoluble organic matter in chondrites: Archetypal melanin-like PAH-based multifunctionality at the origin of life?" by M. d'Ischia et al.
2021 Cassone, Giuseppe; Saija, Franz
Molecular dissociation and proton transfer in aqueous methane solution under an electric field
2021 Cassone, Giuseppe; Sponer, Jiri; Saija, Franz
Understanding the behaviour of carnosine in aqueous solution: an experimental and quantum-based computational investigation on acid-base properties and complexation mechanisms with Ca2+ and Mg2+
2021 Abate, Chiara; Cassone, Giuseppe; Cordaro, Massimiliano; Giuffre, Ottavia; Mollicanardo, Viviana; Ponterio, ROSINA CELESTE; Saija, Franz; Sponer, Jiri; Trusso, Sebastiano; Foti, Claudia
Ab Initio Molecular Dynamics Study of Methanol-Water Mixtures under External Electric Fields
2020 Cassone, G; Sofia, A; Sponer, J; Saitta, Am; Saija, F
Arsenic-nucleotides interactions: an experimental and computational investigation
2020 Cassone, Giuseppe; Chille, Donatetta; Nardo Viviana, Mollica; Giuffre, Ottavia; Ponterio, ROSINA CELESTE; Sponer, Jiri; Trusso, Sebastiano; Saija, Franz; Foti, Claudia
Electric-Field-Induced Effects on the Dipole Moment and Vibrational Modes of the Centrosymmetric Indigo Molecule
2020 Nardo Viviana, Mollica; Cassone, Giuseppe; Ponterio Rosina, C; Saija, Franz; Sponer, Jiri; Tommasini, Matteo; Trusso, Sebastiano
Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization
2020 Creazzo, Fabrizio; Pezzotti, Simone; Bougueroua, Sana; Serva, Alessandra; Sponer, Jiri; Saija, Franz; Cassone, Giuseppe; Gaigeot, Mariepierre
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Water Dimer under Electric Fields: An Ab Initio Investigation up to Quantum Accuracy | 1-gen-2024 | Torre, M. F.; Amadeo, A.; Cassone, G.; Tommasini, M.; Mrazikova, K.; Saija, F. | |
Electric-field induced entropic effects in liquid water | 1-gen-2023 | Nibali, Vc; Maiti, S; Saija, F; Heyden, M; Cassone, G | |
The Reactivity-Enhancing Role of Water Clusters in Ammonia Aqueous Solutions | 1-gen-2023 | Cassone, G; Saija, F; Sponer, J; Shaik, S | |
A Computational Quantum-Based Perspective on the Molecular Origins of Life's Building Blocks | 1-gen-2022 | Amante, G; Sponer, Je; Sponer, J; Saija, F; Cassone, G | |
Ab Initio Molecular Dynamics Studies of the Electric-Field-Induced Catalytic Effects on Liquids | 1-gen-2022 | Cassone, G; Sponer, J; Saija, F | |
Ariel - a window to the origin of life on early earth? | 1-gen-2022 | Ferus, M; Adam, V; Cassone, G; Civis, S; Cuba, V; Chatzitheodoridis, E; Drtinova, B; Lefloch, B; Heays, A; Jheeta, S; Kereszturi, A; Knizek, A; Krus, M; Kubelik, P; Lammer, H; Lenza, L; Nejdl, L; Pastorek, A; Petera, L; Rimmer, P; Saladino, R; Saija, F; Spross, L; Sponer, J; Sponer, J; Todd, Z; Vaculovicova, M; Zemankova, K; Chernov, V | |
Binding of Arsenic by Common Functional Groups: An Experimental and Quantum-Mechanical Study | 1-gen-2022 | Chille, D; Mollicanardo, V; Giuffre, O; Ponterio, Rc; Saija, F; Sponer, J; Trusso, S; Cassone, G; Foti, C | |
Electrofreezing of Liquid Ammonia | 1-gen-2022 | Cassone, G; Sponer, J; Sponer, J E; Saija, F | |
Formamide-Based Post-impact Thermal Prebiotic Synthesis in Simulated Craters: Intermediates, Products and Mechanism | 1-gen-2022 | Ferus, M; Knizek, A; Petera, L; Pastorek, A; Hrncirova, J; Jankovic, L; Ivanek, O; Sponer, J; Krivkova, A; Saeidfirozeh, H; Civis, S; Chatzitheodoridis, E; Mrazikova, K; Nejdl, L; Saija, F; Sponer, Je; Cassone, G | |
Theory and equation of state of two-component nonadditive hard-disks: an application in the colloidal regime | 1-gen-2022 | Pellicane, G; Lomba, E; Saija, F | |
Ab initio molecular dynamics simulations and experimental speciation study of levofloxacin under different pH conditions | 1-gen-2021 | Previti, Emanuele; Foti, Claudia; Giuffre, Ottavia; Saija, Franz; Sponer, Jiri; Cassone, Giuseppe | |
Atomistic simulations of the free-energy landscapes of interstellar chemical reactions: the case of methyl isocyanate | 1-gen-2021 | Cassone, Giuseppe; Saija, Franz; Sponer, Jiri; Sponer Judit, E; Jimenezescobar, Antonio; Ciaravella, Angela; Cecchipestellini, Cesare | |
Electric Field and Temperature Effects on the Ab Initio Spectroscopy of Liquid Methanol | 1-gen-2021 | Cassone, Giuseppe; Trusso, Sebastiano; Sponer, Jiri; Saija, Franz | |
Interstellar chemical reactions toward the synthesis of the life's building blocks Comment on "Insoluble organic matter in chondrites: Archetypal melanin-like PAH-based multifunctionality at the origin of life?" by M. d'Ischia et al. | 1-gen-2021 | Cassone, Giuseppe; Saija, Franz | |
Molecular dissociation and proton transfer in aqueous methane solution under an electric field | 1-gen-2021 | Cassone, Giuseppe; Sponer, Jiri; Saija, Franz | |
Understanding the behaviour of carnosine in aqueous solution: an experimental and quantum-based computational investigation on acid-base properties and complexation mechanisms with Ca2+ and Mg2+ | 1-gen-2021 | Abate, Chiara; Cassone, Giuseppe; Cordaro, Massimiliano; Giuffre, Ottavia; Mollicanardo, Viviana; Ponterio, ROSINA CELESTE; Saija, Franz; Sponer, Jiri; Trusso, Sebastiano; Foti, Claudia | |
Ab Initio Molecular Dynamics Study of Methanol-Water Mixtures under External Electric Fields | 1-gen-2020 | Cassone, G; Sofia, A; Sponer, J; Saitta, Am; Saija, F | |
Arsenic-nucleotides interactions: an experimental and computational investigation | 1-gen-2020 | Cassone, Giuseppe; Chille, Donatetta; Nardo Viviana, Mollica; Giuffre, Ottavia; Ponterio, ROSINA CELESTE; Sponer, Jiri; Trusso, Sebastiano; Saija, Franz; Foti, Claudia | |
Electric-Field-Induced Effects on the Dipole Moment and Vibrational Modes of the Centrosymmetric Indigo Molecule | 1-gen-2020 | Nardo Viviana, Mollica; Cassone, Giuseppe; Ponterio Rosina, C; Saija, Franz; Sponer, Jiri; Tommasini, Matteo; Trusso, Sebastiano | |
Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization | 1-gen-2020 | Creazzo, Fabrizio; Pezzotti, Simone; Bougueroua, Sana; Serva, Alessandra; Sponer, Jiri; Saija, Franz; Cassone, Giuseppe; Gaigeot, Mariepierre |