| Titolo |
Pubblicato in |
Anno |
| Anharmonic Aspects in Vibrational Circular Dichroism Spectra from 900 to 9000 cm-1 for Methyloxirane and Methylthiirane |
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY |
2022 |
| Cholinium amino acid-based ionic liquids |
BIOPHYSICAL REVIEWS |
2021 |
| Assessing the Structure of Protic Ionic Liquids Based on Triethylammonium and Organic Acid Anions |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2021 |
| Modelling biocompatible ionic liquids based on organic acids and amino acids: challenges for computational models and future perspectives |
ORGANIC & BIOMOLECULAR CHEMISTRY |
2021 |
| Hydrogen bonding in biocompatible ionic liquids: an ab-initio characterization of dimeric interactions |
ELECTRONIC STRUCTURE |
2021 |
| CO2 Capture in Biocompatible Amino Acid Ionic Liquids: Exploring the Reaction Mechanisms for Bimolecular Absorption Processes |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2021 |
| Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries |
NPJ COMPUTATIONAL MATERIALS |
2021 |
| Advanced Raman Spectroscopy Detection of Oxidative Damage in Nucleic Acid Bases: Probing Chemical Changes and Intermolecular Interactions in Guanosine at Ultralow Concentration |
ANALYTICAL CHEMISTRY |
2021 |
| Study of the Electronic Structure of Alkali Peroxides and Their Role in the Chemistry of Metal–Oxygen Batteries |
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY |
2021 |
| Reactions in non-aqueous alkali and alkaline-earth metal-oxygen batteries: a thermodynamic study |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2021 |
| Welcome to Liquids: An Open Access Journal |
LIQUIDS |
2021 |
| Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2020 |
| Theoretical Insights into the Structure of the Aminotris(Methylenephosphonic Acid) (ATMP) Anion: A Possible Partner for Conducting Ionic Media |
SYMMETRY |
2020 |
| Structural features of triethylammonium acetate through molecular dynamics |
MOLECULES |
2020 |
| Superoxide anions disproportionation induced by Li+ and H+: pathways to 1O2 release in Li‐O2 batteries |
CHEMPHYSCHEM |
2020 |
| CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms |
CHEMISTRYOPEN |
2020 |
| Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods |
Theoretical and Computational Approaches to Predicting Ionic Liquid Properties |
2020 |
| Strong intramolecular hydrogen bonding in protonated β-methylaminoalanine: a vibrational spectroscopic and computational study |
EUROPEAN JOURNAL OF MASS SPECTROMETRY |
2019 |
| Ultra-Fast -VUV photoemission study of UV excited 2-nitrophenol |
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY |
2019 |
| Vibrational signatures of curcumin's chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy |
THE JOURNAL OF CHEMICAL PHYSICS |
2019 |
