Ab initio spectroscopy of water under electric fields
Cassone, Giuseppe, Sponer, Jiri, Trusso, Sebastiano, Saija, Franz
Published in Physical chemistry chemical physics : PCCP (2019)
Published in Physical chemistry chemical physics : PCCP (2019)
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Journal Article
Miller experiments in atomistic computer simulations
Saitta, Antonino Marco, Saija, Franz
Published in Proceedings of the National Academy of Sciences - PNAS (23.09.2014)
Published in Proceedings of the National Academy of Sciences - PNAS (23.09.2014)
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Journal Article
Molecular dissociation and proton transfer in aqueous methane solution under an electric field
Cassone, Giuseppe, Sponer, Jiri, Saija, Franz
Published in Physical chemistry chemical physics : PCCP (24.11.2021)
Published in Physical chemistry chemical physics : PCCP (24.11.2021)
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Journal Article
The structure of water-ammonia mixtures from classical and ab initio molecular dynamics
Munaò, Gianmarco, Saija, Franz, Cassone, Giuseppe
Published in The Journal of chemical physics (07.09.2024)
Published in The Journal of chemical physics (07.09.2024)
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Journal Article
Ab initio molecular dynamics simulations and experimental speciation study of levofloxacin under different pH conditions
Previti, Emanuele, Foti, Claudia, Giuffrè, Ottavia, Saija, Franz, Sponer, Jiri, Cassone, Giuseppe
Published in Physical chemistry chemical physics : PCCP (03.11.2021)
Published in Physical chemistry chemical physics : PCCP (03.11.2021)
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Journal Article
Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization
Creazzo, Fabrizio, Pezzotti, Simone, Bougueroua, Sana, Serva, Alessandra, Sponer, Jiri, Saija, Franz, Cassone, Giuseppe, Gaigeot, Marie-Pierre
Published in Physical chemistry chemical physics : PCCP (21.05.2020)
Published in Physical chemistry chemical physics : PCCP (21.05.2020)
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Journal Article
Hexatic phase in the two-dimensional Gaussian-core model
Prestipino, Santi, Saija, Franz, Giaquinta, Paolo V
Published in Physical review letters (10.06.2011)
Published in Physical review letters (10.06.2011)
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Journal Article
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
Abate, Chiara, Cassone, Giuseppe, Cordaro, Massimiliano, Giuffrè, Ottavia, Mollica-Nardo, Viviana, Ponterio, Rosina Celeste, Franz Saija, Sponer, Jiri, Trusso, Sebastiano, Foti, Claudia
Published in New journal of chemistry (09.11.2021)
Published in New journal of chemistry (09.11.2021)
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Journal Article
Ab Initio Molecular Dynamics Study of Methanol-Water Mixtures under External Electric Fields
Cassone, Giuseppe, Sofia, Adriano, Sponer, Jiri, Saitta, A Marco, Saija, Franz
Published in Molecules (Basel, Switzerland) (24.07.2020)
Published in Molecules (Basel, Switzerland) (24.07.2020)
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Journal Article
Arsenic-nucleotides interactions: an experimental and computational investigation
Cassone, Giuseppe, Chillè, Donatella, Mollica Nardo, Viviana, Giuffrè, Ottavia, Ponterio, Rosina Celeste, Sponer, Jiri, Trusso, Sebastiano, Saija, Franz, Foti, Claudia
Published in Dalton transactions : an international journal of inorganic chemistry (19.05.2020)
Published in Dalton transactions : an international journal of inorganic chemistry (19.05.2020)
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Journal Article
Special Issue on Complexation of Metals in Natural Fluids: Simulations, Experiments and Applications
Cassone, Giuseppe, Foti, Claudia, Giuffrè, Ottavia, Saija, Franz
Published in Applied sciences (01.03.2023)
Published in Applied sciences (01.03.2023)
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Journal Article
A Computational Quantum-Based Perspective on the Molecular Origins of Life's Building Blocks
Amante, Gabriele, Sponer, Judit E, Sponer, Jiri, Saija, Franz, Cassone, Giuseppe
Published in Entropy (Basel, Switzerland) (22.07.2022)
Published in Entropy (Basel, Switzerland) (22.07.2022)
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Journal Article
Proton Conduction in Water Ices under an Electric Field
Cassone, Giuseppe, Giaquinta, Paolo V, Saija, Franz, Saitta, A. Marco
Published in The journal of physical chemistry. B (24.04.2014)
Published in The journal of physical chemistry. B (24.04.2014)
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Journal Article