Stefano Pantaleone

Via P. Giuria 7
Turin, 10125, Italy

Last Updated: 09/26/2026

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Found 26 publications

Halide-Dependent Structure and Pressure-Induced Electronic Evolution in DABCO-Stabilized Polyiodide Frameworks.

Halide-Dependent Structure and Pressure-Induced Electronic Evolution in DABCO-Stabilized Polyiodide Frameworks.

Journal: Inorganic chemistry

Published: May 05, 2026

A Fully ab Initio Kinetic Monte Carlo Approach for Modeling Adsorption and Diffusion in Interstellar Icy Grain Mantles: The Case of H2S.

A Fully ab Initio Kinetic Monte Carlo Approach for Modeling Adsorption and Diffusion in Interstellar Icy Grain Mantles: The Case of H2S.

Journal: ACS earth & space chemistry

Published: July 28, 2025

Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN.

Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN.

Journal: ACS earth & space chemistry

Published: June 17, 2025

The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles.

The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles.

Journal: The Journal of chemical physics

Published: February 21, 2025

Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry.

Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry.

Journal: ACS earth & space chemistry

Published: September 25, 2024

Unveiling the synergy: a combined experimental and theoretical study of β-cyclodextrin with melatonin.

Unveiling the synergy: a combined experimental and theoretical study of β-cyclodextrin with melatonin.

Journal: Journal of materials chemistry. B

Published: April 03, 2024

Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH4)2.

Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH4)2.

Journal: RSC advances

Published: December 20, 2023

Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study.

Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study.

Journal: Physical chemistry chemical physics : PCCP

Published: October 02, 2023

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.

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.

Journal: International journal of molecular sciences

Published: September 30, 2023

Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates.

Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates.

Journal: ACS earth & space chemistry

Published: June 15, 2023

A Comparison between the Molecularly Imprinted and Non-Molecularly Imprinted Cyclodextrin-Based Nanosponges for the Transdermal Delivery of Melatonin.

A Comparison between the Molecularly Imprinted and Non-Molecularly Imprinted Cyclodextrin-Based Nanosponges for the Transdermal Delivery of Melatonin.

Journal: Polymers

Published: February 05, 2023

On the stability of peptide secondary structures on the TiO2 (101) anatase surface: a computational insight.

On the stability of peptide secondary structures on the TiO2 (101) anatase surface: a computational insight.

Journal: Physical chemistry chemical physics : PCCP

Published: December 08, 2022

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Last Updated: 09/26/2026