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51

Ionic liquids at the surface of graphite: Wettability and structure

Bordes, Emilie, Douce, Laurent, Quitevis, Edward L., Pádua, Agílio A. H., Costa Gomes, Margarida

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.96 MB

english, 2018

52

A Transferable, Polarisable Force Field for Ionic Liquids

Goloviznina, Kateryna, Canongia Lopes, Jose Nuno, Costa Gomes, Margarida, Padua, Agilio A. H.

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 5.33 MB

english, 2019

53

Ionic liquids can enable the recycling of fluorinated greenhouse gases

Lepre, Luiz Fernando, André, Dune, Denis-Quanquin, Sandrine, Gautier, Arnaud Vincent, Padua, Agilio A. H., Costa Gomes, Margarida

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2019

File:

PDF, 651 KB

2019

54

CL&P: A generic and systematic force field for ionic liquids modeling

José N. Canongia Lopes, Agílio A. H. Pádua

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 547 KB

english, 2012

55

Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions

Canongia Lopes, José N., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 84 KB

english, 2006

56

Novel ionic lubricants for amorphous carbon surfaces: molecular modeling of the structure and friction

Mendonça, Ana C. F., Fomin, Yu. D., Malfreyt, Patrice, Pádua, Agílio A. H.

Journal:

Year:

2013

Language:

english

File:

PDF, 1007 KB

english, 2013

57

Perfluoroalkanes in Water: Experimental Henry's Law Coefficients for Hexafluoroethane and Computer Simulations for Tetrafluoromethane and Hexafluoroethane

Bonifácio, Rui P., Pádua, Agílio A. H., Costa Gomes, Margarida F.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

58

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

Cervinka, Ctirad, Padua, Agilio A.H., Fulem, Michal

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 3.91 MB

english, 2016

59

Molecular understanding of pyridinium ionic liquids as absorbents with water as refrigerant for use in heat pumps

Sánchez, Pablo B., Traikia, Mounir, Dequid, Alain, Pádua, Agílio A. H., García, Josefa

Journal:

Year:

2017

Language:

english

File:

PDF, 3.20 MB

english, 2017

60

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

Salas, Gorka, Campbell, Paul S., Santini, Catherine C., Philippot, Karine, Costa Gomes, Margarida F., Pádua, Agílio A. H.

Journal:

Dalton Transactions

Year:

2012

Language:

english

File:

PDF, 2.40 MB

english, 2012

61

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

Stevanovic, Stéphane, Podgoršek, Ajda, Pádua, Agilio A. H., Costa Gomes, Margarida F.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.32 MB

english, 2012

62

A Tale of Two Ions: The Conformational Landscapes of Bis(trifluoromethanesulfonyl)amide and N , N -Dialkylpyrrolidinium

Canongia Lopes, José N., Shimizu, Karina, Pádua, Agílio A. H., Umebayashi, Yasuhiro, Fukuda, Shuhei, Fujii, Kenta, Ishiguro, Shin-ichi

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 561 KB

english, 2008

63

Joint statement of editors of journals publishing thermophysical property data

Journal:

The Journal of Chemical Thermodynamics

Year:

2009

Language:

english

File:

PDF, 104 KB

english, 2009

64

Simultaneous measurement of the solubility of nitrogen and carbon dioxide in polystyrene and of the associated polymer swelling

Sacha Hilic, Séverine A. E. Boyer, Agílio A. H. Pádua, Jean-Pierre E. Grolier

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2001

Language:

english

File:

PDF, 149 KB

english, 2001

65

Effect of bromine substitution on the solubility of gases in hydrocarbons and fluorocarbons

Margarida F. Costa Gomes, Johnny Deschamps, Agílio A.H. Pádua

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 263 KB

english, 2007

66

Torsion Energy Profiles and Force Fields Derived from Ab Initio Calculations for Simulations of Hydrocarbon−Fluorocarbon Diblocks and Perfluoroalkylbromides

Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 122 KB

english, 2002

67

Surface Composition/Organization of Ionic Liquids with Au Nanoparticles Revealed by High-Sensitivity Low-Energy Ion Scattering

Kauling, Alan, Ebeling, Günter, Morais, Jonder, Pádua, Agílio, Grehl, Thomas, Brongersma, Hidde H., Dupont, Jairton

Journal:

Year:

2013

Language:

english

File:

PDF, 1.66 MB

english, 2013

68

Quantum chemical studies on peroxodisulfuric acid–sulfuric acid–water clusters

Martta Toivola, Theo Kurtén, Ismael K. Ortega, Markku Sundberg, Ville Loukonen, Agílio Pádua, Hanna Vehkamäki

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 842 KB

english, 2011

69

Liquid Structure of the Ionic Liquid 1,3-Dimethylimidazolium Bis{(trifluoromethyl)sulfonyl}amide

Deetlefs, Maggel, Hardacre, Christopher, Nieuwenhuyzen, Mark, Padua, Agilio A. H., Sheppard, Oonagh, Soper, Alan K.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 227 KB

english, 2006

70

Solvation and Stabilization of Metallic Nanoparticles in Ionic Liquids

Alfonso S. Pensado, Prof. Agílio A. H. Pádua

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 1.22 MB

english, 2011

71

Using Spectroscopic Data on Imidazolium Cation Conformations To Test a Molecular Force Field for Ionic Liquids

Canongia Lopes, José N. A., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 100 KB

english, 2006

72

A novel stabilisation model for ruthenium nanoparticles in imidazolium ionic liquids: in situ spectroscopic and labelling evidence

Campbell, Paul S., Santini, Catherine C., Bouchu, Denis, Fenet, Bernard, Philippot, Karine, Chaudret, Bruno, Pádua, Agílio A. H., Chauvin, Yves

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.68 MB

english, 2010

73

Calorimetric and Volumetric Study on Binary Mixtures 2,2,2-Trifluoroethanol + (1-Butyl-3-methylimidazolium Tetrafluoroborate or 1-Ethyl-3-methylimidazolium Tetrafluoroborate) †

Currás, Moises R., Costa Gomes, Margarida F., Husson, Pascale, Padua, Agilio A. H., Garcia, Josefa

Journal:

Journal of Chemical & Engineering Data

Year:

2010

Language:

english

File:

PDF, 421 KB

english, 2010

74

Editorial

Acree, William E., Weir, Ron D., Pádua, Agilio A.H.

Journal:

The Journal of Chemical Thermodynamics

Year:

2017

Language:

english

File:

PDF, 184 KB

english, 2017

75

Investigation of Li + Cation Coordination and Transportation, by Molecular Modeling and NMR Studies, in a LiNTf 2 Doped Ionic Liquid-Vinylene Carbonate Mixture

Bolimowska, Ewelina, Castiglione, Franca, Devemy, Julien, Rouault, Hélène, Mele, Andrea, Padua, Agilio A. H., Santini, Catherine C

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 1.08 MB

english, 2018

76

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

Velioglu, Sadiye, Yao, Xun, Devémy, Julien, Ahunbay, M. Goktug, Tantekin-Ersolmaz, S. Birgul, Dequidt, Alain, Costa Gomes, Margarida F., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 2.05 MB

english, 2014

77

Thermophysical properties, low pressure solubilities and thermodynamics of solvation of carbon dioxide and hydrogen in two ionic liquids based on the alkylsulfate anion

Jacquemin, Johan, Husson, Pascale, Majer, Vladimir, Padua, Agilio A.H., Costa Gomes, Margarida F.

Journal:

Green Chemistry

Year:

2008

Language:

english

File:

PDF, 180 KB

english, 2008

78

Cover Feature: Strong Microheterogeneity in Novel Deep Eutectic Solvents (ChemPhysChem 14/2019)

Alizadeh, Vahideh, Geller, David, Malberg, Friedrich, Sánchez, Pablo B., Padua, Agilio, Kirchner, Barbara

Journal:

Year:

2019

File:

PDF, 957 KB

2019

79

Ionic liquids can enable the recycling of fluorinated greenhouse gases

Lepre, Luiz Fernando, André, Dune, Denis-Quanquin, Sandrine, Gautier, Arnaud Vincent, Padua, Agilio A. H., Costa Gomes, Margarida

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2019

Language:

english

File:

PDF, 651 KB

english, 2019

80

Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions

Canongia Lopes, José N., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 74 KB

english, 2004

81

Interaction Energies of Ionic Liquids with Metallic Nanoparticles: Solvation and Stabilization Effects

Podgoršek, Ajda, Pensado, Alfonso S., Santini, Catherine C., Costa Gomes, Margarida F., Pádua, Agílio A. H.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 472 KB

english, 2013

82

Influence of Ionic Association, Transport Properties, and Solvation on the Catalytic Hydrogenation of 1,3-Cyclohexadiene in Ionic Liquids

Podgoršek, Ajda, Salas, Gorka, Campbell, Paul S., Santini, Catherine C., Pádua, Agílio A. H., Costa Gomes, Margarida F., Fenet, Bernard, Chauvin, Yves

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.34 MB

english, 2011

83

Interactions of Carbon Dioxide with Liquid Fluorocarbons

Costa Gomes, Margarida F., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 76 KB

english, 2003

84

Exfoliation of Graphene and Fluorographene in Molecular and Ionic Liquids

Bordes, Emilie, Szala-Bilnik, Joanna, Padua, Agilio A.H.

Journal:

Faraday Discussions

Year:

2017

Language:

english

File:

PDF, 2.42 MB

english, 2017

85

Porous ionic liquids or liquid metal-organic frameworks ?

Costa Gomes, Margarida, Pison, Laure, Červinka, Ctirad, Padua, Agilio

Journal:

Angewandte Chemie

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018

86

Nanocarbons and ionic liquids: fundamental knowledge for sustainable technologies in applications

Journal:

Year:

2016

Language:

english

File:

PDF, 183 KB

english, 2016

87

Nanostructural Organization in Ionic Liquids

Canongia Lopes, José N. A., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 349 KB

english, 2006

88

Interactions of Alkanolamines with Water: Excess Enthalpies and Hydrogen Bonding

Simond, Mickaël R., Ballerat-Busserolles, Karine, Coxam, Jean-Yves, Pádua, Agílio A. H.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.42 MB

english, 2014

89

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

Mao, Xianwen, Brown, Paul, Červinka, Ctirad, Hazell, Gavin, Li, Hua, Ren, Yinying, Chen, Di, Atkin, Rob, Eastoe, Julian, Grillo, Isabelle, Padua, Agilio. A. H., Costa Gomes, Margarida. F., Hatton, T.

Journal:

Nature Materials

Year:

2019

File:

PDF, 2.27 MB

2019

90

Three commentaries on the nano-segregated structure of ionic liquids

Karina Shimizu, Margarida F. Costa Gomes, Agílio A.H. Pádua, Luís P.N. Rebelo, José N. Canongia Lopes

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 2.62 MB

english, 2010

91

Ruthenium nanoparticles in ionic liquids: structural and stability effects of polar solutes

Salas, Gorka, Podgoršek, Ajda, Campbell, Paul S., Santini, Catherine C., Pádua, Agílio A. H., Costa Gomes, Margarida F., Philippot, Karine, Chaudret, Bruno, Turmine, Mireille

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.63 MB

english, 2011

92

Editorial to the special section on the 5th Congress on ionic liquids (COIL-5), 2013, Algarve, Portugal

N. Rebelo, Luís Paulo, Canongia Lopes, José Nuno, Esperança, José M.S.S., Pádua, Agílio

Journal:

The Journal of Chemical Thermodynamics

Year:

2014

Language:

english

File:

PDF, 183 KB

english, 2014

93

Ab initio molecular dynamics simulations of SO 2 solvation in choline chloride/glycerol deep eutectic solvent

Korotkevich, Alexander, Firaha, Dzmitry S., Padua, Agilio A.H., Kirchner, Barbara

Journal:

Fluid Phase Equilibria

Year:

2017

Language:

english

File:

PDF, 3.53 MB

english, 2017

94

Solvation and Stabilization of Metallic Nanoparticles in Ionic Liquids

Alfonso S. Pensado, Prof. Agílio A. H. Pádua

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 1.20 MB

english, 2011

95

Effect of Unsaturation on the Absorption of Ethane and Ethylene in Imidazolium-Based Ionic Liquids

Moura, Leila, Mishra, Manas, Bernales, Varinia, Fuentealba, Patricio, Padua, Agilio A.H., Santini, Catherine C., Costa Gomes, Margarida F.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.80 MB

english, 2013

96

Cosolvent effect on physical properties of [C 1 C 1 Im][DMP] and some insights on cellulose dissolution

Sánchez, Pablo B., González, Begoña, Salgado, Josefa, Pádua, Agílio A.H., García, Josefa

Journal:

Journal of Molecular Liquids

Year:

2018

Language:

english

File:

PDF, 4.65 MB

english, 2018

97

Modeling Ionic Liquids Using a Systematic All-Atom Force Field

Canongia Lopes, José N., Deschamps, Johnny, Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 9 KB

english, 2004

98

Bulk and Liquid–Vapor Interface of Pyrrolidinium-Based Ionic Liquids: A Molecular Simulation Study

Paredes, Xavier, Fernández, Josefa, Pádua, Agílio A. H., Malfreyt, Patrice, Malberg, Friedrich, Kirchner, Barbara, Pensado, Alfonso S.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.87 MB

english, 2014

99

Isobutane as a probe of the structure of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids

Pison, Laure, Bernales, Varinia, Fuentealba, Patricio, Padua, Agilio A.H., Costa Gomes, Margarida F.

Journal:

The Journal of Chemical Thermodynamics

Year:

2015

Language:

english

File:

PDF, 1.20 MB

english, 2015

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