Stefano Pantaleone

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 23

Top Topics

Crystal Structure

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

ACS earth & space chemistry

Journal of materials chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Stefano Pantaleone, Elisa Albanese, Lorenzo Donà, Marta Corno, Marcello Baricco, Bartolomeo Civalleri
Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH 4 ) 2 . RSC advances 14 (9) (2024)
Riccardo Ferrero, Stefano Pantaleone, Cecilia Irene Gho, Gjylije Hoti, Francesco Trotta, Valentina Brunella, Marta Corno
Unveiling the synergy: a combined experimental and theoretical study of β-cyclodextrin with melatonin. Journal of materials chemistry. B 12 (16) (2024)
Riccardo Ferrero, Stefano Pantaleone, Cecilia Irene Gho, Gjylije Hoti, Francesco Trotta, Valentina Brunella, Marta Corno
Unveiling the synergy: a combined experimental and theoretical study of β-cyclodextrin with melatonin. Journal of materials chemistry. B 12 (16) (2024)
Stefano Pantaleone, Elisa Albanese, Lorenzo Donà, Marta Corno, Marcello Baricco, Bartolomeo Civalleri
Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH 4 ) 2 . RSC advances 14 (9) (2024)
Riccardo Ferrero, Stefano Pantaleone, Cecilia Irene Gho, Gjylije Hoti, Francesco Trotta, Valentina Brunella, Marta Corno
Unveiling the synergy: a combined experimental and theoretical study of β-cyclodextrin with melatonin. Journal of materials chemistry. B (2024)
Stefano Pantaleone, Marta Corno, Albert Rimola, Nadia Balucani, Piero Ugliengo
Computational Study on the Water Corrosion Process at Schreibersite (Fe 2 NiP) Surfaces: from Phosphide to Phosphates. ACS earth & space chemistry 7 (10) (2023)
Gjylije Hoti, Riccardo Ferrero, Fabrizio Caldera, Francesco Trotta, Marta Corno, Stefano Pantaleone, Mohamed M H Desoky, Valentina Brunella
A Comparison between the Molecularly Imprinted and Non-Molecularly Imprinted Cyclodextrin-Based Nanosponges for the Transdermal Delivery of Melatonin. Polymers 15 (6) (2023)
Gjylije Hoti, Riccardo Ferrero, Fabrizio Caldera, Francesco Trotta, Marta Corno, Stefano Pantaleone, Mohamed M H Desoky, Valentina Brunella
A Comparison between the Molecularly Imprinted and Non-Molecularly Imprinted Cyclodextrin-Based Nanosponges for the Transdermal Delivery of Melatonin. Polymers 15 (6) (2023)
Gjylije Hoti, Riccardo Ferrero, Fabrizio Caldera, Francesco Trotta, Marta Corno, Stefano Pantaleone, Mohamed M H Desoky, Valentina Brunella
A Comparison between the Molecularly Imprinted and Non-Molecularly Imprinted Cyclodextrin-Based Nanosponges for the Transdermal Delivery of Melatonin. Polymers 15 (6) (2023)
Niccolò Bancone, Stefano Pantaleone, Piero Ugliengo, Albert Rimola, Marta Corno
Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study. Physical chemistry chemical physics : PCCP (2023)
Stefano Pantaleone, Cecilia Irene Gho, Riccardo Ferrero, Valentina Brunella, Marta Corno
Exploration of the Conformational Scenario for α-, β-, and γ-Cyclodextrins in Dry and Wet Conditions, from Monomers to Crystal Structures: A Quantum-Mechanical Study. International journal of molecular sciences 24 (23) (2023)
Stefano Pantaleone, Mariona Sodupe, Piero Ugliengo, Albert Rimola
On the stability of peptide secondary structures on the TiO 2 (101) anatase surface: a computational insight. Physical chemistry chemical physics : PCCP (2022)
Aurèle Germain, Lorenzo Tinacci, Stefano Pantaleone, Cecilia Ceccarelli, Piero Ugliengo
Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH 3 . ACS earth & space chemistry 6 (5) (2022)
Lorenzo Tinacci, Aurèle Germain, Stefano Pantaleone, Stefano Ferrero, Cecilia Ceccarelli, Piero Ugliengo
Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework. ACS earth & space chemistry 6 (6) (2022)
Luca Andreo, Rosa Maria Gomila, Emanuele Priola, Alessia Giordana, Stefano Pantaleone, Eliano Diana, Ghodrat Mahmoudi, Antonio Frontera
Anion···Anion [AuI 4 ] - ···[AuI 2 ] - Complex Trapped in the Solid State by Tetramethylammonium Cations. Crystal growth & design 22 (11) (2022)
Stefano Pantaleone, Marta Corno, Albert Rimola, Nadia Balucani, Piero Ugliengo
Water Interaction with Fe 2 NiP Schreibersite (110) Surface: a Quantum Mechanical Atomistic Perspective. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (4) (2022)
Alessia Giordana, Emanuele Priola, Stefano Pantaleone, Luca Andreo, Leonardo Mortati, Paola Benzi, Lorenza Operti, Eliano Diana
HgBrI: a possible tecton for NLO molecular materials? Dalton transactions (Cambridge, England : 2003) 51 (13) (2022)
Stefano Pantaleone, Albert Rimola, Piero Ugliengo, Mariona Sodupe
First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach. Journal of chemical information and modeling 61 (11) (2021)
Riccardo Ferrero, Stefano Pantaleone, Massimo Delle Piane, Fabrizio Caldera, Marta Corno, Francesco Trotta, Valentina Brunella
On the Interactions of Melatonin/β-Cyclodextrin Inclusion Complex: A Novel Approach Combining Efficient Semiempirical Extended Tight-Binding (xTB) Results with Ab Initio Methods. Molecules (Basel, Switzerland) 26 (19) (2021)
Stefano Pantaleone, Clara Salvini, Lorenzo Zamirri, Matteo Signorile, Francesca Bonino, Piero Ugliengo
A quantum mechanical study of dehydration vs. decarbonylation of formamide catalysed by amorphous silica surfaces. Physical chemistry chemical physics : PCCP 22 (16) (2020)
Matteo Signorile, Stefano Pantaleone, Nadia Balucani, Francesca Bonino, Gianmario Martra, Piero Ugliengo
Monitoring the Reactivity of Formamide on Amorphous SiO2 by In-Situ UV-Raman Spectroscopy and DFT Modeling. Molecules (Basel, Switzerland) 25 (10) (2020)
Michele Cutini, Stefano Pantaleone, Piero Ugliengo
Elucidating the Nature of Interactions in Collagen Triple-Helix Wrapping. The journal of physical chemistry letters 10 (24) (2019)
Lorenzo Zamirri, Stefano Pantaleone, Piero Ugliengo
Carbon monoxide adsorption at forsterite surfaces as models of interstellar dust grains: An unexpected bathochromic (red) shift of the CO stretching frequency. The Journal of chemical physics 150 (6) (2019)