Enrico Bodo

Pubblicazioni

Titolo Pubblicato in Anno
Simulations of γ-Valerolactone Solvents and Electrolytes for Lithium Batteries Using Polarizable Molecular Dynamics MOLECULES 2025
Oxime Metathesis: Tuneable and Versatile Chemistry for Dynamic Networks CHEMICAL SCIENCE 2024
Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields MOLECULES 2024
Understanding the Role of Imide‐Based Salts and Borate‐Based Additives for Safe and High‐Performance Glyoxal‐Based Electrolytes in Ni‐Rich NMC811 Cathodes for Li‐Ion Batteries SMALL 2024
Superionicity by design: High Proton Conductivity in a Fluorine-free Protic Ionic Liquid JOURNAL OF MATERIALS CHEMISTRY. A 2024
Lithium‐Ion Transport Properties in DMSO and TEGDME: Exploring the Influence of Solvation through Molecular Dynamics and Experiments CHEMSUSCHEM 2024
A Polarizable Forcefields for Glyoxal Acetals as Electrolyte Components for Lithium‐Ion Batteries CHEMISTRYOPEN 2024
Mechanisms in the Synthesis of S-Alcohols with 1,4-NADH Biomimetic Co-factor N-Benzyl-1,4-dihydronicotinamide using Horse Liver Alcohol Dehydrogenase: A Hybrid Computational Study CHEMBIOCHEM 2024
Applying Computational Spectroscopy Methods to Raman Spectra of Dicationic, Imidazolium-Based, Ionic Liquids JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL 2024
Modelling Lithium‐ion Transport Properties in Sulfoxides and Sulfones with Polarizable Molecular Dynamics and NMR Spectroscopy CHEMPLUSCHEM 2024
Aprotic electrolytes beyond organic carbonates: transport properties of LiTFSI solutions in sulphur based solvents CHEMSUSCHEM 2024
About the Formation of NH2OH+ from Gas Phase Reactions under Astrochemical Conditions MOLECULES 2023
Bioactivity of the cannabigerol cannabinoid and its analogues – the role of 3-dimensional conformation ORGANIC & BIOMOLECULAR CHEMISTRY 2023
A Computational Study on Halogen/Halide Redox Mediators and Their Role in 1O2 Release in Aprotic Li–O2 Batteries JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY 2023
Insights into the LiI Redox Mediation in Aprotic Li–O2 Batteries: Solvation Effects and Singlet Oxygen Evolution ACS APPLIED MATERIALS & INTERFACES 2023
Assessing the Propensity Toward Ionization in Nanosized Clusters of Protic Ionic Liquids by Ab-initio Methods CHEMICAL PHYSICS 2022
Perspectives in the Computational Modeling of New Generation, Biocompatible Ionic Liquids JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL 2022
Excited state dynamics of Zn–salophen complexes PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 2022
A Computational Analysis of the Reaction of {SO}2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids MOLECULES 2022
A polarisable force field for bio-compatible ionic liquids based on amino acids anions MOLECULAR SIMULATION 2022

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