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List of works by Agilio Padua

1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [C(n)H(2)(n)(+1)mim][C(k)H(2)(k)(+1)SO(3)]: synthesis and physicochemical properties

scientific article published on 19 August 2009

A tale of two ions: the conformational landscapes of bis(trifluoromethanesulfonyl)amide and N,N-dialkylpyrrolidinium.

scientific article

Absorption of carbon dioxide, nitrous oxide, ethane and nitrogen by 1-alkyl-3-methylimidazolium (C(n)mim, n = 2,4,6) tris(pentafluoroethyl)trifluorophosphate ionic liquids (eFAP)

scientific article published on 22 June 2012

Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics

scientific article published on 14 August 2020

Bulk and liquid-vapor interface of pyrrolidinium-based ionic liquids: a molecular simulation study

scientific article published on 10 January 2014

Can the tricyanomethanide anion improve CO2 absorption by acetate-based ionic liquids?

scientific article

Characteristics of aggregation in aqueous solutions of dialkylpyrrolidinium bromides.

scientific article

Connecting chloride solvation with hydration in deep eutectic systems

scientific article published on 21 December 2020

Density scaling of the transport properties of molecular and ionic liquids

scientific article published on 01 April 2011

Dispersion and Stabilization of Exfoliated Graphene in Ionic Liquids

scientific article published on 16 April 2019

Dominance of Dispersion Interactions and Entropy over Electrostatics in Determining the Wettability and Friction of Two-Dimensional MoS2 Surfaces.

scientific article

Effect of Water on the Carbon Dioxide Absorption by 1-Alkyl-3-methylimidazolium Acetate Ionic Liquids ⬇️

scientific article published on December 3, 2012

Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids

scientific article published on 03 June 2011

Effect of fluorination and size of the alkyl side-chain on the solubility of carbon dioxide in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids.

scientific article published in March 2010

Effect of unsaturation on the absorption of ethane and ethylene in imidazolium-based ionic liquids.

scientific article

Exfoliation of graphene and fluorographene in molecular and ionic liquids.

scientific article published on 21 September 2017

Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids, and Deep Eutectic Solvents

scientific article published on 08 February 2021

From the Design of Novel Tri- and Tetra-Epoxidized Ionic Liquid Monomers to the End-of-Life of Multifunctional Degradable Epoxy Thermosets

scientific article published in 2022

Glycine in 1-butyl-3-methylimidazolium acetate and trifluoroacetate ionic liquids: effect of fluorination and hydrogen bonding

scientific article published on 20 March 2012

Influence of Fluorination on the Solubilities of Carbon Dioxide, Ethane, and Nitrogen in 1-n-Fluoro-alkyl-3-methylimidazolium Bis(n-fluoroalkylsulfonyl)amide Ionic Liquids.

scientific article

Influence of ester functional groups on the liquid-phase structure and solvation properties of imidazolium-based ionic liquids

scientific article published on 10 March 2011

Influence of ionic association, transport properties, and solvation on the catalytic hydrogenation of 1,3-cyclohexadiene in ionic liquids

scientific article published on 30 September 2011

Interaction between the pi-system of toluene and the imidazolium ring of ionic liquids: a combined NMR and molecular simulation study.

scientific article published in January 2009

Interactions and Ordering of Ionic Liquids at a Metal Surface

scientific article published on 07 August 2012

Interactions of Alkanolamines with Water: Excess Enthalpies and Hydrogen Bonding.

scientific article published on 6 May 2014

Interactions of fluorinated gases with ionic liquids: solubility of CF4, C2F6, and C3F8 in trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide.

scientific article

Interactions of nitrous oxide with fluorinated liquids

scientific article published on 01 September 2006

Investigation of Li+ Cation Coordination and Transportation, by Molecular Modeling and NMR Studies, in a LiNTf2-Doped Ionic Liquid-Vinylene Carbonate Mixture

scientific article published on 31 August 2018

Ion pair free energy surface as a probe of ionic liquid structure

scientific article published on 01 January 2020

Ionic liquids at interfaces: general discussion.

scientific article

Ionic liquids at the surface of graphite: Wettability and structure

scientific article published on 01 May 2018

Kinetic analysis of microwave-enhanced cellulose dissolution in ionic solvents

scientific article published on 28 November 2019

Ligand effect on the catalytic activity of ruthenium nanoparticles in ionic liquids

scientific article published on 01 October 2012

Liquid-Phase Exfoliation of Phosphorene: Design Rules from Molecular Dynamics Simulations.

scientific article published on 24 July 2015

Mixing Enthalpy for Binary Mixtures Containing Ionic Liquids

scientific article published on 4 May 2016

Molecular Simulations of Primary Alkanolamines Using an Extendable Force Field ⬇️

scientific article published on October 9, 2012

Molecular dynamics simulations of the liquid surface of the ionic liquid 1-hexyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide: structure and surface tension.

scientific article published in November 2009

Molecular force field for ionic liquids III: imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions.

scientific article published in October 2006

Molecular force field for ionic liquids IV: trialkylimidazolium and alkoxycarbonyl-imidazolium cations; alkylsulfonate and alkylsulfate anions.

scientific article published on 2 April 2008

Molecular interactions and thermal transport in ionic liquids with carbon nanomaterials

scientific article published on 01 July 2017

Molecular simulation study of interactions of carbon dioxide and water with ionic liquids

scientific article published on 01 July 2004

Molecular solutes in ionic liquids: a structural perspective.

scientific article published on 28 July 2007

Nanostructural organization in ionic liquids.

scientific article published in February 2006

Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics ⬇️

scientific article published on November 8, 2010

New solvent-stabilized few-layer black phosphorus for antibacterial applications

scientific article published on 01 July 2018

Nonequilibrium Molecular Simulations of New Ionic Lubricants at Metallic Surfaces: Prediction of the Friction.

scientific article published on 5 February 2013

Nonpolar, polar, and associating solutes in ionic liquids

scientific article published on 01 August 2006

On the Regular Behavior of a Binary Mixture of Ionic Liquids

scientific article published on 23 July 2019

Organized 3D-alkyl imidazolium ionic liquids could be used to control the size of in situ generated ruthenium nanoparticles?

Phase behaviour and thermodynamics: general discussion

scientific article published on 29 November 2017

Polarity, viscosity, and ionic conductivity of liquid mixtures containing [C4C1im][Ntf2] and a molecular component

scientific article published on 25 April 2011

Polycyclic aromatic hydrocarbons as model solutes for carbon nanomaterials in ionic liquids.

scientific article published on 6 October 2017

Porous Ionic Liquids or Liquid Metal-Organic Frameworks?

scientific article published on 10 August 2018

Potential Energy Landscape of Bis(fluorosulfonyl)amide

scientific article published in August 2008

Preparation of microfibers from wood/ionic liquid solutions

scientific article published on 31 August 2012

Pressure effect on vibrational frequency and dephasing of 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids.

scientific article published in August 2013

Raman spectroscopic study, DFT calculations and MD simulations on the conformational isomerism of N-alkyl-N-methylpyrrolidinium bis-(trifluoromethanesulfonyl) amide ionic liquids.

scientific article published in April 2009

Relationship between viscosity coefficients and volumetric properties using a scaling concept for molecular and ionic liquids.

scientific article published in May 2008

Resolving dispersion and induction components for polarisable molecular simulations of ionic liquids.

scientific article published on May 2017

Self-assembled nanostructures in ionic liquids facilitate charge storage at electrified interfaces

scientific article published on 12 August 2019

Solvation and stabilization of metallic nanoparticles in ionic liquids

scientific article published on 29 July 2011

Solvation of a Cellulose Microfibril in Imidazolium Acetate Ionic Liquids: Effect of a Cosolvent.

scientific article published on 11 December 2014

Solvation of halogens in fluorous phases. Experimental and simulation data for F2, Cl2, and Br2 in several fluorinated liquids.

scientific article

Strong Microheterogeneity in Novel Deep Eutectic Solvents

scientific article published on 26 June 2019

Structure and dynamics of ionic liquids: general discussion

scientific article

Surface composition/organization of ionic liquids with Au nanoparticles revealed by high-sensitivity low-energy ion scattering.

scientific article

Tailoring the properties of acetate-based ionic liquids using the tricyanomethanide anion.

scientific article

Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator.

scientific article published on 8 December 2015

Thermodynamic Properties of Selected Homologous Series of Ionic Liquids Calculated Using Molecular Dynamics.

scientific article published on 5 February 2016

Thermodynamics and micro heterogeneity of ionic liquids

scientific article published on 01 January 2010

Thermodynamics of cellulose dissolution in an imidazolium acetate ionic liquid

scientific article published on 01 March 2015

Transferable, Polarizable Force Field for Ionic Liquids

scientific article published on 01 October 2019

Using ethane and butane as probes to the molecular structure of 1-alkyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide ionic liquids

scientific article published on 01 January 2012

Using hydrogenated and perfluorinated gases to probe the interactions and structure of fluorinated ionic liquids

scientific article published on 01 April 2019

Using molecular simulation to understand the structure of [C2C1im]+-alkylsulfate ionic liquids: bulk and liquid-vapor interfaces

scientific article published on 20 November 2012

Using spectroscopic data on imidazolium cation conformations to test a molecular force field for ionic liquids.

scientific article

What far-infrared spectra can contribute to the development of force fields for ionic liquids used in molecular dynamics simulations

scientific article published on 01 June 2009

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