Enrico Bodo | Ricerc@Sapienza

Pubblicazioni

Titolo	Pubblicato in	Anno
Simulations of γ-Valerolactone Solvents and Electrolytes for Lithium Batteries Using Polarizable Molecular Dynamics	MOLECULES	2025
Amino Acid‐Mediated Enantioselective Synthesis of a Bicyclic Ketocarbaldehyde: Theoretical and Experimental Insights into a Key Intermediate for Some Polycyclic Diterpene Synthesis	EUROPEAN JOURNAL OF ORGANIC CHEMISTRY	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