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

 Alfonso S. Pensado , Patrice Malfreyt , Agilio A. H. Padua
Journal of Physical Chemistry B, 2009, 113, pp.14708-14718. ⟨10.1021/jp905585e⟩
Article dans une revue hal-00404599v1

Solubility of oxygen in n-hexane and in n-perfluorohexane. Experimental determination and predicion by molecular simulation

 Ana M. A. Dias , Rui P. Bonifacio , Isabel M. Marrucho , Agilio A. H. Padua , Margarida F Costa Gomes
Physical Chemistry Chemical Physics, 2003, 5, pp.543-549. ⟨10.1039/b207512c⟩
Article dans une revue hal-00158094v1

Mixing rules for the prediction of the thermal conductivity of liquid alkane mixtures

 Joao M.N.A. Fareleira , Margarida F Costa Gomes , Carlos A. Nieto de Castro , Agilio A. H. Padua
High Temperatures-High Pressures, 1991, 23, pp.605-610
Article dans une revue hal-00270661v1

Interactions and structure of ionic liquids: experiments and simulation

 Agilio A. H. Padua
23rd European Symposium on Applied Thermodynamics, May 2008, Cannes, France
Communication dans un congrès hal-00270733v1

Influence of the fluorination in ionic liquids for selective absorption of carbon dioxide

 Margarida F Costa Gomes , Dimitrios Almantariotis , Jean Yves Coxam , Agilio A. H. Padua
3rd Congress on Ionic Liquids, COIL-3, May 2009, Cairns, Australia
Communication dans un congrès hal-00405075v1

Interactions and structuring of ionic liquids with solutes, nanoparticles and at interfaces

 Agilio A. H. Padua
CECAM Workshop Computational models of room temperature ionic liquids, Apr 2009, Dublin, Ireland
Communication dans un congrès hal-00404652v1

Understanding the Behaviour of Ionic Liquids : Molecular Thermodynamics meets Molecular Modelling

 J.N. Canongia Lopes , Luis Paulo N. Rebelo , Margarida F Costa Gomes , Agilio A. H. Padua
European Molecular Liquids Group Congress, 2008, Lisbonne, Portugal
Communication dans un congrès hal-00359505v1

Diffusion coefficients of ionic liquids in water : anion and cation size effects

 Sabine Sarraute , Margarida F Costa Gomes , Agilio A. H. Padua
23rd ESAT, European Conference on Applied Thermodynamics, 2008, Cannes, France
Communication dans un congrès hal-00359509v1

Gas liquid interactions in solution

 Margarida F Costa Gomes , Agilio A. H. Padua
11th International Symposium on Solubility Phenomena, 2004, Aveiro, Portugal
Communication dans un congrès hal-00359574v1

Fluorous phases: molecular solutions in biomedicine

 Margarida F Costa Gomes , Agilio A. H. Padua
Biophysical Chemistry Meets Molecular Medicine, 2005, Sesimbra, Portugal
Communication dans un congrès hal-00358944v1

Influence of water on the physico-chemical properties of ionic liquids

 Johan Jacquemin , Margarida F Costa Gomes , Pascale Husson , Agilio A. H. Padua , Vladimir Majer
1st Int. IUPAC Conf. on Green-Sustainable Chem., Sep 2006, Dresden, Germany
Communication dans un congrès hal-00204925v1

Solvation of halogens (fluorine, chlorine and bromide) in different fluorinated solvents

 Agilio A. H. Padua , Margarida F Costa Gomes , Ajda Podgoršek , Jernej Iskra
1st Int. IUPAC Conf. on Green-Sustainable Chem., Sep 2006, Dresden, Germany
Communication dans un congrès hal-00204927v1

Nanostructuring in pure ionic liquids investigated by molecular simulation

 Agilio A. H. Padua , José N. Canongia Lopes , Margarida F Costa Gomes
16th Int. Symp. on Thermophysical Prop., Jul 2006, Boulder, Colorado, United States
Communication dans un congrès hal-00204932v1

Solvation in ionic liquids: conformations, interactions and liquid structure by molecular simulation

 Agilio A. H. Padua , Johnny Deschamps , José N. Canongia Lopes
1st Int. Congress on Ionic Liquids (COIL-1), Jun 2005, Salzburg, Austria
Communication dans un congrès hal-00202032v1

Diffusion coefficients of ionic liquids in water: anion and cation size effect

 Sabine Sarraute , Margarida F Costa Gomes , Agilio A. H. Padua
23rd European Symposium of Applied Thermodynamics, May 2008, Cannes, France. pp.907-910
Communication dans un congrès hal-00270190v1

Prediction of gas solubility in ionic liquids using COSMOtherm

 Margarida F Costa Gomes , C. Hardacre , J. Jacquemin , David Rooney , N. Ab Manan , et al.
236th ACS National Meeting, 2008, Philadelphie, United States
Communication dans un congrès hal-00406319v1

Propiedades lubricantes de aceites de refrigeración tipo poliolester (POE) y de sus mezclas con CO2

 Alfonso S. Pensado , Agilio A. H. Padua , Maria J.P. Comuñas , Josefa Fernandez
III Congreso Español y I Congreso Iberoamericano de Ciencias y Técnicas del Frío (CYTEF-2005), Jul 2005, Barcelona, España
Communication dans un congrès hal-00359453v1

Structure and dynamics of ionic liquids: general discussion

 Matthew Addicoat , Rob Atkin , José Nuno Canongia Lopes , Margarida Costa Gomes , Millicent Firestone , et al.
Faraday Discussions, 2018, 206, pp.291-337
Article dans une revue hal-02057016v1

2D or not 2D: Structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3- methylimidazolium tetrafluoroborate ionic liquid

 Karina Shimizu , Alfonso S. Pensado , Patrice Malfreyt , Agilio A. H. Padua , José N. Canongia Lopes
Faraday Discussions, 2012, 154, pp.155-169. ⟨10.1039/c1fd00043h⟩
Article dans une revue hal-00660510v1

Solvation of glycine in acetate and trifluoroacetate ionic liquids

 Ajda Podgoršek , Marina Macchiagodena , Fabio Ramondo , Margarida F Costa Gomes , Agilio A. H. Padua
22nd International Conference on Chemical Thermodynamics ICCT2012, Aug 2012, Búzios, Brazil
Communication dans un congrès hal-00767134v1

Combination of molecular simulation and calorimetric experiments to describe energies of interaction in {alkanolamine + water} systems

 Mickaël R. Simond , Karine Ballerat-Busserolles , Jean Yves Coxam , Agilio A. H. Padua
33rd International Conference on Solution Chemistry, 33ICSC, Jul 2013, Kyoto, Japan
Communication dans un congrès hal-00875078v1

Molecular Simulation of new ionic liquids at metallic surfaces: structure, dynamics and friction

 Ana Catarina F. Mendonça , Patrice Malfreyt , Agilio A. H. Padua
EUCHEM 2012 - Molten Salts and Ionic Liquids XXIV, Aug 2012, Celtic Manor, Wales, United Kingdom
Communication dans un congrès hal-00767122v1

Porous Ionic Liquids or Liquid Metal-Organic Frameworks?

 Margarida Costa gomes , Laure Pison , Ctirad Červinka , Agílio Pádua
Angewandte Chemie International Edition, 2018, 57 (37), pp.11909 - 11912. ⟨10.1002/anie.201805495⟩
Article dans une revue hal-01916328v1

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

 Gorka Salas , Paul S Campbell , Catherine C Santini , Karine Philippot , Margarida F Costa Gomes , et al.
Dalton Transactions, 2012, 41 (45), pp.13919-26. ⟨10.1039/c2dt31644g⟩
Article dans une revue hal-00754961v1

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

 Vahideh Alizadeh , Friedrich Malberg , Agílio Pádua , Barbara Kirchner
Journal of Physical Chemistry B, 2020, 124 (34), pp.7433-7443. ⟨10.1021/acs.jpcb.0c04844⟩
Article dans une revue hal-03102797v1

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

 Ana Catarina Fernandes Mendonça , Agilio A. H. Padua , Patrice Malfreyt
Journal of Chemical Theory and Computation, 2013, 9, pp.1600-1610
Article dans une revue hal-00945113v1

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

 Dimitrios Almantariotis , Thierry Gefflaut , Agilio A. H. Padua , Jean Yves Coxam , Margarida F Costa Gomes
Journal of Physical Chemistry B, 2010, 114, pp.3608-3617. ⟨10.1021/jp912176n⟩
Article dans une revue hal-00479685v1

Comprendre la physico-chimie de milieux ioniques en vue de leur design. Prix Chercheur Confirmé 2017

 Agílio Pádua
Journée Scientifique de la Division de Chimie Physique de la SCF et de la SFP, Nov 2017, Paris, France
Communication dans un congrès hal-02138164v1

CO2 chemisorption in ionic liquids having imidazolium gemini cations

 Luiz Fernando Lepre , Cinzia Chiappe , Agílio Pádua , Margarida Costa Gomes
19th European Meeting on Environmental Chemistry EMEC19, Dec 2018, Royat, France
Poster de conférence hal-02062221v1

Excess Molar Enthalpies of Water + Primary Alkanolamines with a Common N–C–C–O Skeleton

 Mickael Simond , Yohann Coulier , Agílio Pádua , Karine Ballerat-Busserolles , Jean-Yves Coxam
Journal of Chemical and Engineering Data, 2021, 66 (11), pp.4206-4214. ⟨10.1021/acs.jced.1c00389⟩
Article dans une revue hal-03365787v1
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