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List of works by José Nuno Canongia Lopes

Additive polarizabilities in ionic liquids

scientific article published on 17 December 2015

All-atom force field for molecular dynamics simulations on organotransition metal solids and liquids. Application to M(CO)(n) (M = Cr, Fe, Ni, Mo, Ru, or W) compounds

scientific article published on 21 October 2013

Aqueous biphasic systems: a boost brought about by using ionic liquids.

scientific article published on 12 June 2012

Bridging the gap between ionic liquids and molten salts: group 1 metal salts of the bistriflamide anion in the gas phase.

scientific article published in March 2009

Bulk nanostructure of the prototypical ‘good’ and ‘poor’ solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]

scientific article published in 2016

Cation alkyl side chain length and symmetry effects on the surface tension of ionic liquids

scientific article published on 29 May 2014

Characteristics of aggregation in aqueous solutions of dialkylpyrrolidinium bromides.

scientific article

Charge Templates in Aromatic Plus Ionic Liquid Systems Revisited: NMR Experiments and Molecular Dynamics Simulations

scientific article published on 20 May 2014

Crystalline-like structures and multilayering in Langmuir films of ionic liquids at the air-water interface

scientific article published in April 2016

Design of task-specific fluorinated ionic liquids: nanosegregation versus hydrogen-bonding ability in aqueous solutions

scientific article published on 01 April 2018

Designing the ammonium cation to achieve a higher hydrophilicity of bistriflimide-based ionic liquids

scientific article published on 01 July 2018

Deviations from ideality in mixtures of two ionic liquids containing a common ion

scientific article published on 01 March 2005

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

scientific article published on 03 June 2011

Energetics of aqueous solutions of the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate.

scientific article published on October 2010

Energetics of the thermal dimerization of acenaphthylene to heptacyclene.

scientific article published in February 2006

Enhanced dissolution of ibuprofen using ionic liquids as catanionic hydrotropes

scientific article published on 5 January 2018

Experimental and molecular dynamics simulation study of the sublimation energetics of cyclopentadienyltricarbonylmanganese (Cymantrene)

scientific article published on 18 September 2008

Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering

scientific article published on 26 September 2017

From lime to silica and alumina: systematic modeling of cement clinkers using a general force-field

scientific article

High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions

scientific article published on 01 November 2013

Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations

scientific article published on 4 April 2013

ILs through the looking glass: electrostatics and structure probed using charge-inverted ionic liquid pairs

scientific article published on 20 September 2017

Influence of Nanosegregation on the Surface Tension of Fluorinated Ionic Liquids

scientific article published on 24 May 2016

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

scientific article

Ionic Liquid Films at the Water–Air Interface: Langmuir Isotherms of Tetra-alkylphosphonium-Based Ionic Liquids

scientific article published on 23 July 2015

Ionic Liquids: First Direct Determination of their Cohesive Energy

scientific article published on 01 January 2007

Ionic liquids and reactive azeotropes: the continuity of the aprotic and protic classes

scientific article published on 15 January 2010

Ionic liquids at interfaces: general discussion.

scientific article

Li(+) Local Structure in Li-Tetraglyme Solvate Ionic Liquid Revealed by Neutron Total Scattering Experiments with the (6/7)Li Isotopic Substitution Technique.

scientific article

Liquid-Crystalline Ionic Liquids as Ordered Reaction Media for the Diels-Alder Reaction

scientific article

Liquid-liquid equilibrium of cholinium-derived bistriflimide ionic liquids with water and octanol.

scientific article

Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives

scientific article

Modeling the structure and thermodynamics of ferrocenium-based ionic liquids.

scientific article published on April 2015

Molecular dynamics studies on the structure and interactions of ionic liquids containing amino-acid anions

scientific article published on 02 August 2018

Molecular dynamics study of the thermodynamic properties of calcium apatites. 2. Monoclinic phases.

scientific article

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

scientific article published in October 2006

Molecular solutes in ionic liquids: a structural perspective.

scientific article published on 28 July 2007

Mutual solubility of water and structural/positional isomers of N-alkylpyridinium-based ionic liquids.

scientific article

Nano-segregation in ionic liquids: scorpions and vanishing chains

scientific article published in 2013

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

Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation

scientific article published on 16 October 2019

New catanionic surfactants based on 1-alkyl-3-methylimidazolium alkylsulfonates, [C(n)H(2n+1)mim][C(m)H(2m+1)SO(3)]: mesomorphism and aggregation.

scientific article

Nonpolar, polar, and associating solutes in ionic liquids

scientific article published on 01 August 2006

On the Critical Temperature, Normal Boiling Point, and Vapor Pressure of Ionic Liquids

scientific article published on 01 April 2005

On the self-aggregation and fluorescence quenching aptitude of surfactant ionic liquids

scientific article published on 01 July 2008

Phase behaviour and thermodynamics: general discussion

scientific article published on 29 November 2017

Phase equilibria of haloalkanes dissolved in ethylsulfate- or ethylsulfonate-based ionic liquids.

scientific article published in June 2010

Photon Upconversion in TTA-Inducing Ionic Liquids: Pinpointing the Role of IL Nanostructured Media Using MD Simulations

scientific article published on 03 April 2020

Polymorphism in 4'-hydroxyacetophenone: a molecular dynamics simulation study

scientific article published on 19 April 2012

Potential Energy Landscape of Bis(fluorosulfonyl)amide

scientific article published in August 2008

Protonic Ammonium Nitrate Ionic Liquids and Their Mixtures: Insights into Their Thermophysical Behavior.

scientific article published on 17 February 2016

Raman spectroscopic study of the vapor phase of 1-methylimidazolium ethanoate, a protic ionic liquid.

scientific article published on October 2010

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

Rationalizing the diverse solid-liquid equilibria of binary mixtures of benzene and its fluorinated derivatives.

scientific article published on October 2010

Solubility of n-butane and 2-methylpropane (isobutane) in 1-alkyl-3-methylimidazolium-based ionic liquids with linear and branched alkyl side-chains

scientific article published on 28 October 2015

Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide-glyme systems: coordination in MD simulations with scaled charges

scientific article published on 01 January 2020

Solvation of alcohols in ionic liquids - understanding the effect of the anion and cation

scientific article published on 10 January 2018

Solvent effects on the polar network of ionic liquid solutions.

scientific article

Structural and aggregate analyses of (Li salt + glyme) mixtures: the complex nature of solvate ionic liquids.

scientific article published on 6 August 2015

Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains

scientific article published on 10 June 2014

Structure and Aggregation in the 1-Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series

scientific article published on 2 January 2014

Structure and dynamics of ionic liquids: general discussion

scientific article

Surface tension of ionic liquids and ionic liquid solutions.

scientific article published on 02 August 2011

Systematic Study of the Thermophysical Properties of Imidazolium-Based Ionic Liquids with Cyano-Functionalized Anions

scientific article published on 26 August 2013

The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water ⬇️

scientific article published on February 15, 2011

The effect of the cation alkyl chain branching on mutual solubilities with water and toxicities.

scientific article

The impact of ionic liquid fluorinated moieties on their thermophysical properties and aqueous phase behaviour

scientific article

The magic of aqueous solutions of ionic liquids: ionic liquids as a powerful class of catanionic hydrotropes

scientific article

The nature of protic ionic liquids in the gas phase revisited: Fourier transform ion cyclotron resonance mass spectrometry study of 1,1,3,3-tetramethylguanidinium chloride.

scientific article published on July 2010

Transferable, Polarizable Force Field for Ionic Liquids

scientific article published on 01 October 2019

Tuning the miscibility of water in imide-based ionic liquids

scientific article published on 02 November 2020

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

scientific article

Vapor Pressure Assessment of Sulfolane-Based Eutectic Solvents: Experimental, PC-SAFT, and Molecular Dynamics

scientific article published on 09 November 2020

Vaporisation of a Dicationic Ionic Liquid Revisited

scientific article published on 5 November 2010

Viscosity minima in binary mixtures of ionic liquids + molecular solvents

scientific article published on May 2015

Viscosity mixing rules for binary systems containing one ionic liquid.

scientific article published on 6 May 2013

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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