Fabio Ramondo | Ricerc@Sapienza

Pubblicazioni

Titolo	Pubblicato in	Anno
MD Simulations and X-Ray scattering	Comprehensive computational chemistry	2023
Unveiling the structural organisation of carvacrol through X-ray scattering and molecular Dynamics: A comparative study with liquid thymol	JOURNAL OF MOLECULAR LIQUIDS	2023
Adsorption of Choline Phenylalanilate on Polyaromatic Hydrocarbon-Shaped Graphene and Reaction Mechanism with CO2: A Computational Study	JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY	2023
Mixtures of choline chloride and tetrabutylammonium bromide with imidazole as examples of deep eutectic solvents: their structure by theoretical and experimental investigation	JOURNAL OF MOLECULAR LIQUIDS	2022
Phenol-cyclohexanol eutectic mixtures: phase diagram and microscopic structure by experimental and computational studies	JOURNAL OF MOLECULAR LIQUIDS	2022
Reaction Mechanism of CO2 with Choline-Amino Acid Ionic Liquids: A Computational Study	ENTROPY	2022
New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature infrared spectroscopy and ab initio modeling	SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY	2020
Choline Hydrogen Dicarboxylate Ionic Liquids by X-ray Scattering, Vibrational Spectroscopy and Molecular Dynamics: H-Fumarate and H-Maleate and Their Conformations	MOLECULES	2020
Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-Ray diffractions and fixed charge/polarizable simulations	PHYSICAL CHEMISTRY CHEMICAL PHYSICS	2019
Reducing properties of superalkalis on pyridinic graphene surfaces: a computational study	CHEMPHYSCHEM	2019
Peroxy self-reaction leading to the formation of furfural	PHYSICAL CHEMISTRY CHEMICAL PHYSICS	2019
Field-induced π-polarization in barrelene derivatives: a computational study based on structural variation	STRUCTURAL CHEMISTRY	2017
Inhomogeneity in ethylammonium nitrate–acetonitrile binary mixtures: the highest “Low q Excess” reported to date	THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS	2017
Choline salicylate ionic liquid by X-ray scattering, vibrational spectroscopy and molecular dynamics	JOURNAL OF MOLECULAR LIQUIDS	2016
Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics	THE JOURNAL OF CHEMICAL PHYSICS	2015