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Identification

Personal identification

Full name
JOSÉ NUNO AGUIAR CANONGIA LOPES

Citation names

  • Canongia Lopes, Jose Nuno
  • Lopes, JNC
  • Lopes, JNAC
  • Canongia Lopes, JN

Author identifiers

Ciência ID
B21F-91F9-9D08
ORCID iD
0000-0002-4483-6294
Researcher Id
B-8109-2008
Scopus Author Id
55993354900

Telephones

Telephone
  • 218419261 (Professional)

Addresses

  • Centro de Química Estrutural - Instituto Superior Técnico. Av. Rovisco Pais, 1049-001, Lisboa, Lisboa, Portugal (Professional)

Websites

Languages

Language Speaking Reading Writing Listening Peer-review
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
French Intermediate (B1) Advanced (C1) Beginner (A1) Intermediate (B1)
Education
Degree Classification
2017
Concluded
 Química (Título de Agregado)
Major in Química-Física
Universidade de Lisboa Instituto Superior Técnico, Portugal
"Estrutura e Propriedades de Nano-Agregados de Carbono e Líquidos Iónicos: das interacções ao comportamento mecânico" (THESIS/DISSERTATION)
1993
Concluded
 Engenharia Química (Doutoramento)
Universidade de Lisboa Instituto Superior Técnico, Portugal
"Propriedades Termodinâmicas de Espécies Isotopicamente Substituidas" (THESIS/DISSERTATION)
 Aprovado com Distinção e Louvor
1993
Concluded
 Engenharia Química (Doutoramento)
Major in Outra:Termodinâmica Química
Universidade de Lisboa Instituto Superior Técnico, Portugal
"Propriedades Termodinâmicas de Espécies Isotopicamente Substituídas" (THESIS/DISSERTATION)
1988
Concluded
 Engenharia Química (Licenciatura)
Universidade de Lisboa Instituto Superior Técnico, Portugal
 16.4 (dezasseis valores)
Affiliation

Teaching in Higher Education

Category
Host institution 		Employer
2019/05/20 - Current Full Professor (University Teacher) Universidade de Lisboa Instituto Superior Técnico, Portugal
Universidade de Lisboa Centro de Química Estrutural, Portugal
2011/08/02 - 2019/05/19 Associate Professor (University Teacher) Universidade de Lisboa Instituto Superior Técnico, Portugal
2011/08/02 - 2015/06/01 Invited Associate Professor (University Teacher) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2005/10/01 - 2011/08/01 Invited Assistant Professor (University Teacher) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
1993/03/01 - 2011/08/01 Assistant Professor (University Teacher) Universidade de Lisboa Instituto Superior Técnico, Portugal
1991/09/01 - 1993/02/28 Trainee Assistant (University Teacher) Universidade de Lisboa Instituto Superior Técnico, Portugal

Others

Category
Host institution 		Employer
2006/01/01 - 2006/06/01 Invited Professor Université Clermont Auvergne, France
1996/01/01 - 1996/12/31 Invited Post-Doctoral Researcher Imperial College Department of Chemistry, United Kingdom
Projects

Grant

Designation Funders
2010 - 2013 Room temperature ionic liquids under negative pressure conditions: experimental and simulation studies
FCT/CNR(Itália)
Principal investigator
2005 - 2009 Estudo das propriedades físico-químicas de líquidos iónicos com hidrocarbonetos derivados do petróleo
Programa Pessoa ICCTI/CNRS(França)
Principal investigator
2003 - 2007 Molecular Modeling of New Fluids with Technological Applications
**, Programa PICS GRICES/CNRS(França)
Principal investigator
2002 - 2004 Modelação molecular de novos fluidos com interesse tecnológico
acção bilateral luso-francesa GRICES/CNRS(França)
Principal investigator
1999 - 2002 Potenciais Intermoleculares e simulação Computacional de Fluidos Moleculares
ICCTI/CNRS(França) 423
Principal investigator

Contract

Designation Funders
2018/10/01 - Current Nanoestrutura em Líquidos Iónicos: Fundamentos e Aplicações
PTDC/QUI-QFI/29527/2017
Principal investigator
2018/10/01 - Current Inteligência Artificial Aplicada à Previsão de Equilíbrio de Fases
PTDC/EQU-EQU/30060/2017
Researcher
2018/10/01 - Current Redes de coordenação de antibióticos como forma de potenciar a bioactividade dos fármacos
PTDC/QUI-OUT/30988/2017
Researcher
2018/01/06 - Current Sistemas de Transporte Sustentáveis: Produção e Armazenamento de Energia usando Líquidos Iónicos
PTDC/QUI-QFI/28367/2017
Principal investigator
2018/01 - Current Sistemas de Transporte Sustentáveis: Produção e Armazenamento de Energia usando Líquidos Iónicos
PTDC/QUI-QFI/28367/2017
 N/A
2018 - Current Financiamento plurianual do Centro de Química Estrutura
UID/QUI/00100/2019
Principal investigator
2007 - Current Vapour Liquid Equilibrium of Pure Ionic Liquids and their Mixtures with Organic Solvents
PTDC/EQU-FTT/65252/2006
Researcher
2012 - 2018 Nanoengenharia do silicato de cálcio hidratadoadIST/CIMPOR Nanocement 2012/2015
adIST/CIMPOR Nanocement 2012/2015
Researcher
2014 - 2017 Nanomateriais de Carbono e Líquidos Iónicos: Do conhecimento fundamental a aplicações tecnológicas sustentáveis
FCT-ANR(França)/CTM-NAN/0135/2012
Principal investigator
2012 - 2015 Caracterização termofísica de novos líquidos iónicos à temperatura ambiente
PTDC/CTM-NAN/121274/2010
Principal investigator
2012 - 2015 Tensionamento de Líquidos iónicos
PTDC/QUI-QUI/117340/2010
Principal investigator
2008 - 2014 Petroleum-derived hydrocarbons in ionic liquids
IBET
Principal investigator
2010 - 2013 Modelling and Analysis of Nanostructures: Carbon Nanotubes and Nanocomposite Materials
PTDC/ECM/103490/2008
Researcher
2009 - 2012 Molecular Modeling of Ionic Liquids: from Structure to Thermodynamics
PTDC/QUI-QUI/101794/2008
Principal investigator
2008 - 2011 Anchoring Basic Parameters for Fundamental Predictive Models in Liquid Salt Systems
PTDC/QUI/72903/2006
Researcher
2007 - 2010 Gas Phase Reactions on Ionic Liquids
PTDC/QUI/66199/2006
Researcher
2007 - 2010 Wetting behaviour of room-temperature ionic liquids
PTDC/QUI/66211/2006
Researcher
2007/01/01 - 2009 Thermodynamical and Structural Characterization of Ionic Liquids and other Associated Fluids
POCI/QUI/57716/2004
 Fundação para a Ciência e a Tecnologia
Concluded
2005/10/01 - 2008 Modelling the Energetics and Structure of Solid Metallocenes
info:eu-repo/grantAgreement/FCT/POCI/56880/PT
 Fundação para a Ciência e a Tecnologia
Concluded
2000 - 2003 Thermodynamics of Critical Phenomena in Binary Liquid-Liquid Equilibria: Simulation, Theory e Experiments
FCT/SAPIENS (34955/99)
Researcher
1997 - 2000 Phase Equilibria and Surface Properties in Mixtures containing Partially Fluorinated Hydrocarbons
PBIC/C/QUI/2195/95
Principal investigator
1997 - 2000 Thermodynamic Properties of Simple Mixtures
PRAXIS21 JNICT/FEDER 3/3.1/CEG/2640/95
Researcher
1993 - 1995 Thermodynamics of Argon Isotopes
PBIC/C/CEN/1120/92
Researcher
1991 - 1994 Thermodynamic Properties of Isotopic Mixtures
JNICT–PMCT/CEN/Q373
Researcher
1990 - 1992 Isotope Effects in Mixtures
Volkswagenwerk Stiftung I/63113
Research Fellow
Outputs

Publications

Book
  1. Tariq, M.; Shimizu, K.; Canongia Lopes, J.N.; Saramago, B.; Rebelo, L.P.N.. Ionic liquids in bulk and at an interface: Self-aggregation, interfacial tension, and adsorption. 2015.
    10.1002/9781118854501.ch5
Book chapter
  1. Padua, A. A. H.; Lopes, Jnac. "Intra- and Intermolecular Structure of Ionic Liquids: From Conformers to Nanostructures". edited by Brennecke, J. F.; Rogers, R. D.; Seddon, K. R., 86-101. 2007.
  2. Lopes, J. N. C.; Deschamps, J.; Padua, A. A. H.. "Modeling ionic liquids of the 1-alkyl-3-methylimidazolium family using an all-atom force field". edited by Rogers, R. D.; Seddon, K. R., 134-149. 2005.
  3. Rebelo, L. P. N.; Najdanovic-Visak, V.; de Azevedo, R. G.; Esperanca, Jmss; da Ponte, M. N.; Guedes, H. J. R.; Visak, Z. P.; et al. "Phase behavior and thermodynamic properties of ionic liquids, ionic liquid mixtures, and ionic liquid solutions". edited by Rogers, R. D.; Seddon, K. R., 270-291. 2005.
Conference paper
  1. Blesic, M.; Canongia Lopes, J.N.A.; Rebelo, L.P.N.. "Phase equilibria in ionic liquid plus aromatic compound binary systems". 2008.
Journal article
  1. Carlos E. S. Bernardes; Kyrylo Klimenko; José N. Canongia Lopes. "Water Solubility Trends in Ionic Liquids: The Quantitative Structure–Property Relationship Model versus Molecular Dynamics". The Journal of Physical Chemistry B (2021): https://doi.org/10.1021/acs.jpcb.1c06133.
    10.1021/acs.jpcb.1c06133
  2. Diego O. Hartmann; Karina Shimizu; Maika Rothkegel; Marija Petkovic; Ricardo Ferraz; Željko Petrovski; Luís C. Branco; José N. Canongia Lopes; Cristina Silva Pereira. "Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs". RSC Advances (2021): https://doi.org/10.1039/D1RA00234A.
    10.1039/D1RA00234A
  3. Filipa Lima; Carin H. J. T. Dietz; Armando J. D. Silvestre; Luis C. Branco; José Canongia Lopes; Fausto Gallucci; Karina Shimizu; Christoph Held; Isabel M. Marrucho. "Vapor Pressure Assessment of Sulfolane-Based Eutectic Solvents: Experimental, PC-SAFT, and Molecular Dynamics". The Journal of Physical Chemistry B (2020): https://doi.org/10.1021/acs.jpcb.0c04837.
    10.1021/acs.jpcb.0c04837
  4. Karina Shimizu; Shota Hisamitsu; Nobuhiro Yanai; Nobuo Kimizuka; José N. Canongia Lopes. "Photon Upconversion in TTA-Inducing Ionic Liquids: Pinpointing the Role of IL Nanostructured Media Using MD Simulations". The Journal of Physical Chemistry B (2020): https://doi.org/10.1021/acs.jpcb.0c00768.
    10.1021/acs.jpcb.0c00768
  5. Andreas Thum; Andreas Heuer; Karina Shimizu; José Nuno Canongia Lopes. "Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide–glyme systems: coordination in MD simulations with scaled charges". Physical Chemistry Chemical Physics (2020): https://doi.org/10.1039/C9CP04947A.
    10.1039/C9CP04947A
  6. Andreia S. L. Gouveia; Carlos E. S. Bernardes; Alexander S. Shaplov; Elena I. Lozinskaya; José N. Canongia Lopes; Isabel M. Marrucho. "Tuning the miscibility of water in imide-based ionic liquids". Physical Chemistry Chemical Physics (2020): https://doi.org/10.1039/D0CP05074A.
    10.1039/D0CP05074A
  7. Kateryna Goloviznina; José N. Canongia Lopes; Margarida Costa Gomes; Agílio A. H. Pádua. "Transferable, Polarizable Force Field for Ionic Liquids". Journal of Chemical Theory and Computation (2019): https://doi.org/10.1021/acs.jctc.9b00689.
    10.1021/acs.jctc.9b00689
  8. André Mão de Ferro; Patrícia M. Reis; Adilson A. Freitas; José N. Canongia Lopes; Luís Paulo N. Rebelo; Karina Shimizu; José M. S. S. Esperança. "Evidences for a Null Molar Volume Contribution by Hydroxyl Groups in Ammonium Bistriflimide-Based Ionic Liquids". Journal of Chemical & Engineering Data (2019): https://doi.org/10.1021/acs.jced.9b00442.
    10.1021/acs.jced.9b00442
  9. Tiago F. C. Cruz; Karina Shimizu; José M. S. S. Esperança; Vânia André; M. Teresa Duarte; Luís P. N. Rebelo; Pedro T. Gomes; José N. Canongia Lopes. "Ionic Liquids in Wonderland: From Electrostatics to Coordination Chemistry". The Journal of Physical Chemistry C (2019): https://doi.org/10.1021/acs.jpcc.9b00987.
    10.1021/acs.jpcc.9b00987
  10. Andreia S. L. Gouveia; Carlos E. S. Bernardes; Elena I. Lozinskaya; Alexander S. Shaplov; José N. Canongia Lopes; Isabel M. Marrucho. "Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation". Physical Chemistry Chemical Physics (2019): https://doi.org/10.1039/C9CP03021B.
    10.1039/C9CP03021B
  11. Wagner Silva; Helena Isabel M. Veiga; Mohammad Tariq; Eurico J. Cabrita; José M.S.S. Esperança; José N. Canongia Lopes; Luis Paulo N. Rebelo. "Negative Pressure Regimes in Ionic Liquids: Structure and Interactions in Stretched Liquids as Probed by NMR". ECS Transactions (2018): https://doi.org/10.1149/08614.0141ecst.
    10.1149/08614.0141ecst
  12. Wagner Silva; Helena Isabel M. Veiga; Mohammad Tariq; Eurico J. Cabrita; José M.S.S. Esperança; José N. Canongia Lopes; Luis Paulo N. Rebelo. "Negative Pressure Regimes in Ionic Liquids: Structure and Interactions in Stretched Liquids as Probed by NMR". ECS Meeting Abstracts {MA 53 (2018): 1832-1832. https://doi.org/10.1149/MA2018-02/53/1832.
    10.1149/MA2018-02/53/1832
  13. Bruno Faria; Cátia Guarda; Nuno Silvestre; José N.C. Lopes; Diogo Galhofo. "Strength and failure mechanisms of cnt-reinforced copper nanocomposite". Composites Part B: Engineering 145 (2018): 108-120. https://doi.org/10.1016/j.compositesb.2018.02.033.
    10.1016/j.compositesb.2018.02.033
  14. Inês C. M. Vaz; Margarida Bastos; Carlos E. S. Bernardes; José N. Canongia Lopes; Luís M. N. B. F. Santos. "Solvation of alcohols in ionic liquids – understanding the effect of the anion and cation". Physical Chemistry Chemical Physics (2018): https://doi.org/10.1039/C7CP07525A.
    10.1039/C7CP07525A
  15. Abbott, A.; Abe, H.; Aldous, L.; Atkin, R.; Bendová, M.; Busato, M.; Canongia Lopes, J.N.; et al. "Phase behaviour and thermodynamics: General discussion". Faraday Discussions 206 (2018): 113-139. http://www.scopus.com/inward/record.url?eid=2-s2.0-85038354681&partnerID=MN8TOARS.
    10.1039/c7fd90091k
  16. Cabry, C.P.; D'Andrea, L.; Shimizu, K.; Grillo, I.; Li, P.; Rogers, S.; Bruce, D.W.; Canongia Lopes, J.N.; Slattery, J.M.. "Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering". Faraday Discussions 206 (2018): 265-289. http://www.scopus.com/inward/record.url?eid=2-s2.0-85038354424&partnerID=MN8TOARS.
    10.1039/c7fd00167c
  17. Abbott, A.; Addicoat, M.; Aldous, L.; Bhuin, R.G.; Borisenko, N.; Canongia Lopes, J.N.; Clark, R.; et al. "Ionic liquids at interfaces: General discussion". Faraday Discussions 206 (2018): 549-586. http://www.scopus.com/inward/record.url?eid=2-s2.0-85038396580&partnerID=MN8TOARS.
    10.1039/C7FD90094E
  18. Addicoat, M.; Atkin, R.; Canongia Lopes, J.N.; Costa Gomes, M.; Firestone, M.; Gardas, R.; Halstead, S.; et al. "Structure and dynamics of ionic liquids: General discussion". Faraday Discussions 206 (2018): 291-337. http://www.scopus.com/inward/record.url?eid=2-s2.0-85038384415&partnerID=MN8TOARS.
    10.1039/C7FD90092A
  19. A. Mão de Ferro; P. M. Reis; M. R. C. Soromenho; C. E. S. Bernardes; K. Shimizu; A. A. Freitas; J. M. S. S. Esperança; J. N. Canongia Lopes; L. P. N. Rebelo. "Designing the ammonium cation to achieve a higher hydrophilicity of bistriflimide-based ionic liquids". Physical Chemistry Chemical Physics (2018): https://doi.org/10.1039/C8CP03398F.
    10.1039/C8CP03398F
  20. T. E. Sintra; K. Shimizu; S. P. M. Ventura; S. Shimizu; J. N. Canongia Lopes; J. A. P. Coutinho. "Enhanced dissolution of ibuprofen using ionic liquids as catanionic hydrotropes". Physical Chemistry Chemical Physics (2018): https://doi.org/10.1039/C7CP07569C.
    10.1039/C7CP07569C
  21. Diana Ruivo; José N. Canongia Lopes; Francisco J. Deive; José M. S. S. Esperança; Luís Paulo N. Rebelo; Ana Rodriguez; Karina Shimizu. "Molecular dynamics studies on the structure and interactions of ionic liquids containing amino-acid anions". Physical Chemistry Chemical Physics (2018): https://doi.org/10.1039/C8CP03831G.
    10.1039/C8CP03831G
  22. Joana C. Bastos; Sara F. Carvalho; Tom Welton; José N. Canongia Lopes; Luís Paulo N. Rebelo; Karina Shimizu; João M. M. Araújo; Ana B. Pereiro. "Design of task-specific fluorinated ionic liquids: nanosegregation versus hydrogen-bonding ability in aqueous solutions". Chemical Communications (2018): https://doi.org/10.1039/C8CC00361K.
    10.1039/C8CC00361K
  23. Tiago F. C. Cruz; Karina Shimizu; José M. S. S. Esperança; Luís Paulo N. Rebelo; Pedro T. Gomes; José N. Canongia Lopes; Cruz, T.F.C.; et al. "ILs through the looking glass: electrostatics and structure probed using charge-inverted ionic liquid pairs". Faraday Discussions 206 (2018): 203-218. https://doi.org/10.1039/C7FD00139H.
    10.1039/C7FD00139H
  24. Shimizu, K.; Freitas, A.A.; Canongia Lopes, J.N.. "Structural characterization of the [CnC1im][C4F9SO3] ionic liquid series: Alkyl versus perfluoroalkyl side chains". Journal of Molecular Liquids 226 (2017): 28-34. http://www.scopus.com/inward/record.url?eid=2-s2.0-84981736577&partnerID=MN8TOARS.
    10.1016/j.molliq.2016.08.014
  25. Bernardes, C.E.S.; Canongia Lopes, J.N.. "Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives". Journal of Chemical Theory and Computation 13 12 (2017): 6167-6176. http://www.scopus.com/inward/record.url?eid=2-s2.0-85038258075&partnerID=MN8TOARS.
    10.1021/acs.jctc.7b00645
  26. Ferreira, M.L.; Pastoriza-Gallego, M.J.; Araújo, J.M.M.; Canongia Lopes, J.N.; Rebelo, L.P.N.; M Piñeiro, M.; Shimizu, K.; Pereiro, A.B.. "Influence of Nanosegregation on the Phase Behavior of Fluorinated Ionic Liquids". Journal of Physical Chemistry C 121 9 (2017): 5415-5427. http://www.scopus.com/inward/record.url?eid=2-s2.0-85015693859&partnerID=MN8TOARS.
    10.1021/acs.jpcc.7b00516
  27. Bernardes, C.E.S.; Shimizu, K.; Canongia Lopes, J.N.. "Comparative structural analyses in four ionic liquid systems: the two low-q peaks of IL structure factor functions". Molecular Simulation (2017): 1-7. http://www.scopus.com/inward/record.url?eid=2-s2.0-85033722587&partnerID=MN8TOARS.
    10.1080/08927022.2017.1396329
  28. Émilie Bordes; Anabela J. L. Costa; Joanna Szala-Bilnik; Jean-Michel Andanson; José M. S. S. Esperança; Margarida F. Costa Gomes; José N. Canongia Lopes; Agílio A. H. Pádua. "Polycyclic aromatic hydrocarbons as model solutes for carbon nanomaterials in ionic liquids". Phys. Chem. Chem. Phys. 19 40 (2017): 27694-27703. https://doi.org/10.1039/C7CP04932C.
    10.1039/C7CP04932C
  29. Bruce, Duncan W.; Gao, Yanan; Canongia Lopes, Jose Nuno; Shimizu, Karina; Slattery, John M.. "Liquid-Crystalline Ionic Liquids as Ordered Reaction Media for the Diels-Alder Reaction". Chemistry-a European Journal 22 45 (2016): 16113-16123. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000387132800020&KeyUID=WOS:000387132800020.
    10.1002/chem.201602965
  30. Saito, Soshi; Watanabe, Hikari; Hayashi, Yutaka; Matsugami, Masaru; Tsuzuki, Seiji; Seki, Shiro; Canongia Lopes, Jose N.; et al. "Li+ Local Structure in Li-Tetraglyme Solvate Ionic Liquid Revealed by Neutron Total Scattering Experiments with the Li-6/7 Isotopic Substitution Technique". Journal of Physical Chemistry Letters 7 14 (2016): 2832-2837. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000380415400032&KeyUID=WOS:000380415400032.
    10.1021/acs.jpclett.6b01266
  31. Oliveira, Filipe S.; Cabrita, Eurico J.; Todorovic, Smilja; Bernardes, Carlos E. S.; Canongia Lopes, Jose N.; Hodgson, Jennifer L.; MacFarlane, Douglas R.; Rebelo, Luis P. N.; Marrucho, Isabel M.. "Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: insights into their interactions". Physical Chemistry Chemical Physics 18 4 (2016): 2756-2766. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000369506000052&KeyUID=WOS:000369506000052.
    10.1039/c5cp06937h
  32. Faria, Bruno; Silvestre, Nuno; Canongia Lopes, Jose N.. "Mechanical behaviour of carbon nanotubes under combined twisting-bending". Mechanics Research Communications 73 (2016): 19-24. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000375810200004&KeyUID=WOS:000375810200004.
    10.1016/j.mechrescom.2016.01.010
  33. Filipe, Eduardo. J. M.; Morgado, Pedro; Teixeira, Miguel; Shimizu, Karina; Bonatout, Nathalie; Goldmann, Michel; Canongia Lopes, Jose Nuno. "Crystalline-like structures and multilayering in Langmuir films of ionic liquids at the air-water interface". Chemical Communications 52 32 (2016): 5585-5588. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000374035800020&KeyUID=WOS:000374035800020.
    10.1039/c6cc01368f
  34. Shimizu, Karina; Canongia Lopes, Jose N.. "Comparing the structure of different ionic liquid series: Bistriflamide v. hexafluorophosphate; pure v. equimolar mixtures". Fluid Phase Equilibria 418 (2016): 181-191. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000376543800019&KeyUID=WOS:000376543800019.
    10.1016/j.fluid.2015.12.028
  35. Canongia Lopes, Jose N.; Esperanca, Jose M. S. S.; de Ferro, Andre Mao; Pereiro, Ana B.; Plechkova, Natalia V.; Rebelo, Luis P. N.; Seddon, Kenneth R.; Vazquez-Fernandez, Isabel. "Protonic Ammonium Nitrate Ionic Liquids and Their Mixtures: Insights into Their Thermophysical Behavior". Journal of Physical Chemistry B 120 9 (2016): 2397-2406. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000372042000036&KeyUID=WOS:000372042000036.
    10.1021/acs.jpcb.5b11900
  36. Santos, R. L.; Horta, R. B.; Pereira, J.; Nunes, T. G.; Rocha, P.; Canongia Lopes, J. N.; Colaco, R.. "Novel high-resistance clinkers with 1.10 < CaO/SiO2 < 1.25: production route and preliminary hydration characterization". Cement and Concrete Research 85 (2016): 39-47. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000378956100004&KeyUID=WOS:000378956100004.
    10.1016/j.cemconres.2016.03.006
  37. Shimizu, Karina; Tariq, Mohammad; Freitas, Adilson A.; Padua, Agilio A. H.; Lopes, Jose N. C.. "Self-Organization in Ionic Liquids: From Bulk to Interfaces and Films". Journal of the Brazilian Chemical Society 27 2 (2016): 349-362. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000370983800014&KeyUID=WOS:000370983800014.
    10.5935/0103-5053.20150274
  38. Murphy, Thomas; Callear, Sam K.; Yepuri, Nageshwar; Shimizu, Karina; Watanabe, Masayoshi; Lopes, Jose N. Canongia; Darwish, Tamim; Warr, Gregory G.; Atkin, Rob. "Bulk nanostructure of the prototypical 'good' and 'poor' solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]". Physical Chemistry Chemical Physics 18 26 (2016): 17224-17236. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000379482100011&KeyUID=WOS:000379482100011.
    10.1039/c6cp00176a
  39. Bernardes, Carlos E. S.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Marquetand, Philipp; Heid, Esther; Steinhauser, Othmar; Schroeder, Christian. "Additive polarizabilities in ionic liquids". Physical Chemistry Chemical Physics 18 3 (2016): 1665-1670. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000369482100035&KeyUID=WOS:000369482100035.
    10.1039/c5cp06595j
  40. Lopes, J.; Freitas, M.; Stefaniak, D.; Camanho, P.P.. "Inter-laminar shear stress in hybrid CFRP/austenitic steel". Frattura ed Integrita Strutturale 31 (2015): 67-79. http://www.scopus.com/inward/record.url?eid=2-s2.0-84920443527&partnerID=MN8TOARS.
    10.3221/IGF-ESIS.31.06
  41. Shimizu, Karina; Canongia Lopes, Jose N.; Goncalves da Silva, Amelia M. P. S.. "Ionic Liquid Films at the Water-Air Interface: Lang muir Isotherms of Tetra-alkylphosphonium-Based Ionic Liquids". Langmuir 31 30 (2015): 8371-8378. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000359278000021&KeyUID=WOS:000359278000021.
    10.1021/acs.langmuir.5b01977
  42. Santos, R. L.; Horta, R. B.; Pereira, J.; Nunes, T. G.; Rocha, P.; Canongia Lopes, J. N.; Colaco, R.. "Microstructural control and hydration of novel micro-dendritic clinkers with CaO/SiO2=1.4". Cement and Concrete Research 76 (2015): 212-221. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000359958300021&KeyUID=WOS:000359958300021.
    10.1016/j.cemconres.2015.06.004
  43. Vieira, N. S. M.; Reis, P. M.; Shimizu, K.; Cortes, O. A.; Marrucho, I. M.; Araujo, J. M. M.; Esperanca, J. M. S. S.; et al. "A thermophysical and structural characterization of ionic liquids with alkyl and perfluoroalkyl side chains". Rsc Advances 5 80 (2015): 65337-65350. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000359136500064&KeyUID=WOS:000359136500064.
    10.1039/c5ra13869h
  44. Pison, Laure; Shimizu, Karina; Tamas, George; Canongia Lopes, Jose Nuno; Quitevis, Edward L.; Gomes, Margarida F. Costa. "Solubility of n-butane and 2-methylpropane(isobutane) in 1-alkyl-3-methylimidazolium-based ionic liquids with linear and branched alkyl side-chains". Physical Chemistry Chemical Physics 17 45 (2015): 30328-30342. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000364862000013&KeyUID=WOS:000364862000013.
    10.1039/c5cp05572e
  45. Hartmann, Diego O.; Shimizu, Karina; Siopa, Filipa; Leitao, M. Cristina; Afonso, Carlos A. M.; Lopes, Jose N. Canongia; Pereira, Cristina Silva. "Plasma membrane permeabilisation by ionic liquids: a matter of charge". Green Chemistry 17 9 (2015): 4587-4598. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000360637900013&KeyUID=WOS:000360637900013.
    10.1039/c5gc01472g
  46. Branco, Adriana S. H.; Calado, Marta S.; Fareleira, Joao M. N. A.; Visak, Zoran P.; Canongia Lopes, Jose N.. "Refraction Index and Molar Refraction in Ionic Liquid/PEG200 Solutions". Journal of Solution Chemistry 44 3-4 (2015): 431-439. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000353289100005&KeyUID=WOS:000353289100005.
    10.1007/s10953-014-0277-x
  47. Freitas, A.A.; Santos, R.L.; Colaço, R.; Bayão Horta, R.; Canongia Lopes, J.N.. "From lime to silica and alumina: Systematic modeling of cement clinkers using a general force-field". Physical Chemistry Chemical Physics 17 28 (2015): 18477-18494. http://www.scopus.com/inward/record.url?eid=2-s2.0-84936980606&partnerID=MN8TOARS.
    10.1039/c5cp02823j
  48. Shimizu, K.; Freitas, A.A.; Atkin, R.; Warr, G.G.; FitzGerald, P.A.; Doi, H.; Saito, S.; et al. "Structural and aggregate analyses of (Li salt + glyme) mixtures: The complex nature of solvate ionic liquids". Physical Chemistry Chemical Physics 17 34 (2015): 22321-22335. http://www.scopus.com/inward/record.url?eid=2-s2.0-84939805805&partnerID=MN8TOARS.
    10.1039/c5cp03414k
  49. Shimizu, K.; Canongia Lopes, J.N.. "Probing the structural features of the 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquid series using Molecular Dynamics simulations". Journal of Molecular Liquids 210 (2015): 257-263. http://www.scopus.com/inward/record.url?eid=2-s2.0-84940611797&partnerID=MN8TOARS.
    10.1016/j.molliq.2015.04.014
  50. Kirchner, B.; Hollóczki, O.; Canongia Lopes, J.N.; Pádua, A.A.H.. "Multiresolution calculation of ionic liquids". Wiley Interdisciplinary Reviews: Computational Molecular Science 5 2 (2015): 202-214. http://www.scopus.com/inward/record.url?eid=2-s2.0-84923070117&partnerID=MN8TOARS.
    10.1002/wcms.1212
  51. Bernardes, C.E.S.; Mochida, T.; Canongia Lopes, J.N.. "Modeling the structure and thermodynamics of ferrocenium-based ionic liquids". Physical Chemistry Chemical Physics 17 15 (2015): 10200-10208. http://www.scopus.com/inward/record.url?eid=2-s2.0-84926442303&partnerID=MN8TOARS.
    10.1039/c5cp00695c
  52. Tariq, M.; Shimizu, K.; Esperança, J.M.S.S.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Viscosity minima in binary mixtures of ionic liquids + molecular solvents". Physical Chemistry Chemical Physics 17 20 (2015): 13480-13494. http://www.scopus.com/inward/record.url?eid=2-s2.0-84929353101&partnerID=MN8TOARS.
    10.1039/c5cp01563d
  53. Bernardes, C.E.S.; Shimizu, K.; Canongia Lopes, J.N.. "Solvent effects on the polar network of ionic liquid solutions". Journal of Physics Condensed Matter 27 19 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84928678537&partnerID=MN8TOARS.
    10.1088/0953-8984/27/19/194116
  54. Rebelo, Luis Paulo N.; Lopes, Jose Nuno Canongia; Esperanca, Jose M. S. S.; Padua, Agilio. "Editorial to the special section on the 5th Congress on ionic liquids (COIL-5), 2013, Algarve, Portugal". Journal of Chemical Thermodynamics 77 (2014): 178-178. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000339813500026&KeyUID=WOS:000339813500026.
    10.1016/j.jct.2014.07.008
  55. Canongia Lopes, Jose Nuno; Shimizu, Karina; Bernardes, Carlos E. S.; Rebelo, Luis Paulo N.. "Probing the complex structure and properties of ionic liquids using MD simulations". Abstracts of Papers of the American Chemical Society 248 (2014): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000349167403780&KeyUID=WOS:000349167403780.
  56. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Oligoethers + LiNtf(2) mixtures: Solvated ionic liquids?". Abstracts of Papers of the American Chemical Society 248 (2014): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000349167404147&KeyUID=WOS:000349167404147.
  57. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose N.. "Complex Structure of Ionic Liquids. Molecular Dynamics Studies with Different Cation-Anion Combinations". Journal of Chemical and Engineering Data 59 10 (2014): 3120-3129. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000343017000022&KeyUID=WOS:000343017000022.
    10.1021/je500197x
  58. Dias, Nuno; Shimizu, Karina; Morgado, Pedro; Filipe, Eduardo J. M.; Canongia Lopes, Jose N.; Chavez, Fabian Vaca. "Charge Templates in Aromatic Plus Ionic Liquid Systems Revisited: NMR Experiments and Molecular Dynamics Simulations". Journal of Physical Chemistry B 118 21 (2014): 5772-5780. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000336771100016&KeyUID=WOS:000336771100016.
    10.1021/jp503130y
  59. Shimizu, Karina; Bernardes, Carlos E. S.; Canongia Lopes, Jose N.. "Structure and Aggregation in the 1-Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series". Journal of Physical Chemistry B 118 2 (2014): 567-576. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000330017900019&KeyUID=WOS:000330017900019.
    10.1021/jp409987d
  60. Bernardes, Carlos E. S.; Shimizu, Karina; Lobo Ferreira, Ana I. M. C.; Santos, Luis M. N. B. F.; Canongia Lopes, Jose N.. "Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains". Journal of Physical Chemistry B 118 24 (2014): 6885-6895. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000337784100055&KeyUID=WOS:000337784100055.
    10.1021/jp502968u
  61. Faria, B.; Silvestre, N.; Lopes, J.N.C.. "Influence of Bond Kinematics on the Rupture of Non-Chiral CNTs under Stretching-Twisting". Springer Series in Materials Science 188 (2014): 275-302. http://www.scopus.com/inward/record.url?eid=2-s2.0-84886011984&partnerID=MN8TOARS.
    10.1007/978-3-319-01201-8_9
  62. Shimizu, K.; Bernardes, C.E.S.; Canongia Lopes, J.N.. "The complex structure of ionic liquids at an atomistic level: From "red-and-greens" to charge templates". Pure and Applied Chemistry 86 2 (2014): 119-133. http://www.scopus.com/inward/record.url?eid=2-s2.0-84901654479&partnerID=MN8TOARS.
    10.1515/pac-2014-5021
  63. Silvestre, N.; Faria, B.; Canongia Lopes, J.N.. "Compressive behavior of CNT-reinforced aluminum composites using molecular dynamics". Composites Science and Technology 90 (2014): 16-24. http://www.scopus.com/inward/record.url?eid=2-s2.0-84887526393&partnerID=MN8TOARS.
    10.1016/j.compscitech.2013.09.027
  64. Adamová, G.; Canongia Lopes, J.N.; Rebelo, L.P.N.; Santos, L.M.N.B.; Seddon, K.R.; Shimizu, K.. "The alternation effect in ionic liquid homologous series". Physical Chemistry Chemical Physics 16 9 (2014): 4033-4038. http://www.scopus.com/inward/record.url?eid=2-s2.0-84893654757&partnerID=MN8TOARS.
    10.1039/c3cp54584a
  65. Oliveira, F.S.; Pereiro, A.B.; Araújo, J.M.M.; Bernardes, C.E.S.; Canongia Lopes, J.N.; Todorovic, S.; Feio, G.; et al. "High ionicity ionic liquids (HIILs): Comparing the effect of ethylsulfonate and ethylsulfate anions". Physical Chemistry Chemical Physics 15 41 (2013): 18138-18147. http://www.scopus.com/inward/record.url?eid=2-s2.0-84885120940&partnerID=MN8TOARS.
    10.1039/c3cp52642a
  66. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, K.; Esperança, J.M.S.S.; Lopes, J.N.C.; Rebelo, L.P.N.. "Unusual LCST-type behaviour found in binary mixtures of choline-based ionic liquids with ethers". RSC Advances 3 26 (2013): 10262-10271. http://www.scopus.com/inward/record.url?eid=2-s2.0-84881393343&partnerID=MN8TOARS.
    10.1039/c3ra40327k
  67. Shimizu, K.; Bernardes, C.E.S.; Triolo, A.; Canongia Lopes, J.N.. "Nano-segregation in ionic liquids: Scorpions and vanishing chains". Physical Chemistry Chemical Physics 15 38 (2013): 16256-16262. http://www.scopus.com/inward/record.url?eid=2-s2.0-84884149242&partnerID=MN8TOARS.
    10.1039/c3cp52357h
  68. Faria, B.; Silvestre, N.; Canongia Lopes, J. N.. "Induced anisotropy of chiral carbon nanotubes under combined tension-twisting". Mechanics of Materials 58 (2013): 97-109. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000315061500008&KeyUID=WOS:000315061500008.
    10.1016/j.mechmat.2012.11.004
  69. Cruz, M.M.; Borges, R.P.; Godinho, M.; Marques, C.S.; Langa, E.; Ribeiro, A.P.C.; Lourenço, M.J.V.; et al. "Thermophysical and magnetic studies of two paramagnetic liquid salts: [C4mim][FeCl4] and [P66614][FeCl4]". Fluid Phase Equilibria 350 (2013): 43-50. http://www.scopus.com/inward/record.url?eid=2-s2.0-84878667303&partnerID=MN8TOARS.
    10.1016/j.fluid.2013.03.001
  70. Morgado, P.; Shimizu, K.; Esperança, J.M.S.S.; Reis, P.M.; Rebelo, L.P.N.; Canongia Lopes, J.N.; Filipe, E.J.M.. "Using 129Xe NMR to probe the structure of ionic liquids". Journal of Physical Chemistry Letters 4 16 (2013): 2758-2762. http://www.scopus.com/inward/record.url?eid=2-s2.0-84882402200&partnerID=MN8TOARS.
    10.1021/jz401279u
  71. Bernardes, C.E.S.; Canongia Lopes, J.N.; Da Piedade, M.E.M.. "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". Journal of Physical Chemistry A 117 43 (2013): 11107-11113. http://www.scopus.com/inward/record.url?eid=2-s2.0-84887094824&partnerID=MN8TOARS.
    10.1021/jp407739h
  72. Tariq, M.; Moscoso, F.; Deive, F.J.; Rodriguez, A.; Sanromán, M.A.; Esperança, J.M.S.S.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Probing the self-aggregation of ionic liquids in aqueous solutions using density and speed of sound data". Journal of Chemical Thermodynamics 59 (2013): 43-48. http://www.scopus.com/inward/record.url?eid=2-s2.0-84872329176&partnerID=MN8TOARS.
    10.1016/j.jct.2012.11.032
  73. Tariq, M.; Esperança, J.M.S.S.; Rebelo, L.P.N.; Lopes, J.N.C.. "Probing ionic liquid aqueous solutions using temperature of maximum density isotope effects". Molecules 18 4 (2013): 3703-3711. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876756927&partnerID=MN8TOARS.
    10.3390/molecules18043703
  74. Faria, B.; Silvestre, N.; Canongia Lopes, J.N.. "Tension-twisting dependent kinematics of chiral CNTs". Composites Science and Technology 74 (2013): 211-220. http://www.scopus.com/inward/record.url?eid=2-s2.0-84871604482&partnerID=MN8TOARS.
    10.1016/j.compscitech.2012.11.010
  75. Tariq, M.; Esperança, J.M.S.S.; Soromenho, M.R.C.; Rebelo, L.P.N.; Lopes, J.N.C.. "Shifts in the temperature of maximum density (TMD) of ionic liquid aqueous solutions". Physical Chemistry Chemical Physics 15 26 (2013): 10960-10970. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876756073&partnerID=MN8TOARS.
    10.1039/c3cp50387a
  76. Tariq, M.; Altamash, T.; Salavera, D.; Coronas, A.; Rebelo, L.P.N.; Lopes, J.N.C.. "Viscosity mixing rules for binary systems containing one ionic liquid". ChemPhysChem 14 9 (2013): 1956-1968. http://www.scopus.com/inward/record.url?eid=2-s2.0-84879144833&partnerID=MN8TOARS.
    10.1002/cphc.201300086
  77. Costa, Anabela J. L.; Soromenho, Mario R. C.; Shimizu, Karina; Marrucho, Isabel M.; Esperanca, Jose M. S. S.; Canongia Lopes, J. N.; Rebelo, Luis Paulo N.. "Liquid-Liquid Equilibrium of Cholinium-Derived Bistriflimide Ionic Liquids with Water and Octanol". Journal of Physical Chemistry B 116 30 (2012): 9186-9195. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=CCC&KeyUT=CCC:000306989800049&KeyUID=CCC:000306989800049.
  78. Tariq, M.; Freire, M.G.; Saramago, B.; Coutinho, J.A.P.; Lopes, J.N.C.; Rebelo, L.P.N.. "Surface tension of ionic liquids and ionic liquid solutions". Chemical Society Reviews 41 2 (2012): 829-868. http://www.scopus.com/inward/record.url?eid=2-s2.0-84855387067&partnerID=MN8TOARS.
    10.1039/c1cs15146k
  79. Pereiro, A.B.; Araújo, J.M.M.; Oliveira, F.S.; Esperana, J.M.S.S.; Canongia Lopes, J.N.; Marrucho, I.M.; Rebelo, L.P.N.. "Solubility of inorganic salts in pure ionic liquids". Journal of Chemical Thermodynamics 55 (2012): 29-36. http://www.scopus.com/inward/record.url?eid=2-s2.0-84863517381&partnerID=MN8TOARS.
    10.1016/j.jct.2012.06.007
  80. Bernardes, C.E.S.; Minas Da Piedade, M.E.; Canongia Lopes, J.N.. "Polymorphism in 4'-hydroxyacetophenone: A molecular dynamics simulation study". Journal of Physical Chemistry B 116 17 (2012): 5179-5184. http://www.scopus.com/inward/record.url?eid=2-s2.0-84860522004&partnerID=MN8TOARS.
    10.1021/jp300341f
  81. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, K.; Marrucho, I.M.; Esperança, J.M.S.S.; Lopes, J.N.C.; Rebelo, L.P.N.. "Density, thermal expansion and viscosity of cholinium-derived ionic liquids". ChemPhysChem 13 7 (2012): 1902-1909. http://www.scopus.com/inward/record.url?eid=2-s2.0-84861024332&partnerID=MN8TOARS.
    10.1002/cphc.201100852
  82. Silvestre, N.; Faria, B.; Canongia Lopes, J.N.. "A molecular dynamics study on the thickness and post-critical strength of carbon nanotubes". Composite Structures 94 4 (2012): 1352-1358. http://www.scopus.com/inward/record.url?eid=2-s2.0-84855881110&partnerID=MN8TOARS.
    10.1016/j.compstruct.2011.10.029
  83. Pereiro, A.B.; Araújo, J.M.M.; Oliveira, F.S.; Bernardes, C.E.S.; Esperana, J.M.S.S.; Canongia Lopes, J.N.; Marrucho, I.M.; Rebelo, L.P.N.. "Inorganic salts in purely ionic liquid media: The development of high ionicity ionic liquids (HIILs)". Chemical Communications 48 30 (2012): 3656-3658. http://www.scopus.com/inward/record.url?eid=2-s2.0-84858376863&partnerID=MN8TOARS.
    10.1039/c2cc30374d
  84. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, K.; Marrucho, I.M.; Esperança, J.M.S.S.; Lopes, J.N.C.; Rebelo, L.P.N.. "Liquid-liquid equilibrium of cholinium-derived bistriflimide ionic liquids with water and octanol". Journal of Physical Chemistry B 116 30 (2012): 9186-9195. http://www.scopus.com/inward/record.url?eid=2-s2.0-84864766841&partnerID=MN8TOARS.
    10.1021/jp3053168
  85. Kowacz, M.; Lopes, J.N.C.; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Hollow calcite rhombohedra at ionic liquid-stabilized bubbles". CrystEngComm 14 18 (2012): 5723-5726. http://www.scopus.com/inward/record.url?eid=2-s2.0-84865264761&partnerID=MN8TOARS.
    10.1039/c2ce25975c
  86. Freire, M.G.; Neves, C.M.S.S.; Canongia Lopes, J.N.; Marrucho, I.M.; Coutinho, J.A.P.; Rebelo, L.P.N.. "Impact of self-aggregation on the formation of ionic-liquid-based aqueous biphasic systems". Journal of Physical Chemistry B 116 26 (2012): 7660-7668. http://www.scopus.com/inward/record.url?eid=2-s2.0-84863629049&partnerID=MN8TOARS.
    10.1021/jp211132z
  87. Freire, M.G.; Cláudio, A.F.M.; Araújo, J.M.M.; Coutinho, J.A.P.; Marrucho, I.M.; Lopes, J.N.C.; Rebelo, L.P.N.. "Aqueous biphasic systems: A boost brought about by using ionic liquids". Chemical Society Reviews 41 14 (2012): 4966-4995. http://www.scopus.com/inward/record.url?eid=2-s2.0-84862878965&partnerID=MN8TOARS.
    10.1039/c2cs35151j
  88. Canongia Lopes, J.N.; Pádua, A.A.H.. "CL&P: A generic and systematic force field for ionic liquids modeling". Theoretical Chemistry Accounts 131 3 (2012): 1-11. http://www.scopus.com/inward/record.url?eid=2-s2.0-84856996654&partnerID=MN8TOARS.
    10.1007/s00214-012-1129-7
  89. Freire, M.G.; Teles, A.R.R.; Canongia Lopes, J.N.; Rebelo, L.P.N.; Marrucho, I.M.; Coutinho, J.A.P.. "Partition Coefficients of Alkaloids in Biphasic Ionic-Liquid-Aqueous Systems and their Dependence on the Hofmeister Series". Separation Science and Technology 47 2 (2012): 284-291. http://www.scopus.com/inward/record.url?eid=2-s2.0-84856937081&partnerID=MN8TOARS.
    10.1080/01496395.2011.620585
  90. Shimizu, K.; Pensado, A.; Malfreyt, P.; Pádua, A.A.H.; Canongia Lopes, J.N.. "2D or not 2D: Structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid". Faraday Discussions 154 (2012): 155-169. http://www.scopus.com/inward/record.url?eid=2-s2.0-82455186314&partnerID=MN8TOARS.
    10.1039/c1fd00043h
  91. Bernardes, C. E. S.; da Piedade, M. E. M.; Lopes, J. N. C.. "The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylinnidazolium Ethylsulfate and Water". Journal of Physical Chemistry B 115 9 (2011): 2067-2074. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000287833000018&KeyUID=WOS:000287833000018.
    10.1021/jp1113202
  92. Lopes, J. N. C.; Gomes, M. F. C.; Husson, P.; Padua, A. A. H.; Rebelo, L. P. N.; Sarraute, S.; Tariq, M.. "Polarity, Viscosity, and Ionic Conductivity of Liquid Mixtures Containing C(4)C(1)im Ntf(2) and a Molecular Component". Journal of Physical Chemistry B 115 19 (2011): 6088-6099. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000290427100042&KeyUID=WOS:000290427100042.
    10.1021/jp2012254
  93. Restolho, J.; Mata, J. L.; Shimizu, K.; Lopes, J. N. C.; Saramago, B.. "Wetting Films of Two Ionic Liquids: C(8)mim BF4 and C(2)OHmim BF4". Journal of Physical Chemistry C 115 32 (2011): 16116-16123. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000293758700049&KeyUID=WOS:000293758700049.
    10.1021/jp204911h
  94. Tariq, M.; Carvalho, P. J.; Coutinho, J. A. P.; Marrucho, I. M.; Lopes, J. N. C.; Rebelo, L. P. N.. "Viscosity of (C-2-C-14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids in an extended temperature range". Fluid Phase Equilibria 301 1 (2011): 22-32. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000287116700004&KeyUID=WOS:000287116700004.
    10.1016/j.fluid.2010.10.018
  95. Tariq, M.; Serro, A.P.; Colaço, R.; Saramago, B.; Lopes, J.N.C.; Rebelo, L.P.N.. "Effect of alkyl chain length on the adsorption and frictional behaviour of 1-alkyl-3-methylimidazolium chloride ionic liquid surfactants on gold surfaces". Colloids and Surfaces A: Physicochemical and Engineering Aspects 377 1-3 (2011): 361-366. http://www.scopus.com/inward/record.url?eid=2-s2.0-79952023399&partnerID=MN8TOARS.
    10.1016/j.colsurfa.2011.01.036
  96. Pensado, A.S.; Gomes, M.F.C.; Lopes, J.N.C.; Malfreyt, P.; Pádua, A.A.H.. "Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids". Physical Chemistry Chemical Physics 13 30 (2011): 13518-13526. http://www.scopus.com/inward/record.url?eid=2-s2.0-79960941549&partnerID=MN8TOARS.
    10.1039/c1cp20563c
  97. Tariq, M.; Podgoršek, A.; Ferguson, J.L.; Lopes, A.; Costa Gomes, M.F.; Pádua, A.A.H.; Rebelo, L.P.N.; Canongia Lopes, J.N.. "Characteristics of aggregation in aqueous solutions of dialkylpyrrolidinium bromides". Journal of Colloid and Interface Science 360 2 (2011): 606-616. http://www.scopus.com/inward/record.url?eid=2-s2.0-79958789843&partnerID=MN8TOARS.
    10.1016/j.jcis.2011.04.083
  98. Köhler, R.; Restolho, J.; Krastev, R.; Shimizu, K.; Canongia Lopes, J.N.; Saramago, B.. "Liquid- or solid-like behavior of [omim][BF4] at a solid interface?". Journal of Physical Chemistry Letters 2 13 (2011): 1551-1555. http://www.scopus.com/inward/record.url?eid=2-s2.0-79960167119&partnerID=MN8TOARS.
    10.1021/jz2005682
  99. Faria, B.; Silvestre, N.; Canongia Lopes, J.N.. "Interaction diagrams for carbon nanotubes under combined shortening-twisting". Composites Science and Technology 71 16 (2011): 1811-1818. http://www.scopus.com/inward/record.url?eid=2-s2.0-80055014521&partnerID=MN8TOARS.
    10.1016/j.compscitech.2011.08.006
  100. Deive, F.J.; Rodríguez, A.; Pereiro, A.B.; Araújo, J.M.M.; Longo, M.A.; Coelho, M.A.Z.; Lopes, J.N.C.; et al. "Ionic liquid-based aqueous biphasic system for lipase extraction". Green Chemistry 13 2 (2011): 390-396. http://www.scopus.com/inward/record.url?eid=2-s2.0-79751504743&partnerID=MN8TOARS.
    10.1039/c0gc00075b
  101. Pereiro, A.B.; Rodriguez, A.; Blesic, M.; Shimizu, K.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Mixtures of pyridine and nicotine with pyridinium-based ionic liquids". Journal of Chemical and Engineering Data 56 12 (2011): 4356-4363. http://www.scopus.com/inward/record.url?eid=2-s2.0-83455177972&partnerID=MN8TOARS.
    10.1021/je2001446
  102. Rocha, M.A.A.; Lima, C.F.R.A.C.; Gomes, L.R.; Schröder, B.; Coutinho, J.A.P.; Marrucho, I.M.; Esperança, J.M.S.S.; et al. "High-accuracy vapor pressure data of the extended [C nC 1im][Ntf 2] ionic liquid series: Trend changes and structural shifts". Journal of Physical Chemistry B 115 37 (2011): 10919-10926. http://www.scopus.com/inward/record.url?eid=2-s2.0-80052833461&partnerID=MN8TOARS.
    10.1021/jp2049316
  103. Vitorino, J.; Leal, J.P.; Licence, P.; Lovelock, K.R.J.; Gooden, P.N.; Minas Da Piedade, M.E.; Shimizu, K.; Rebelo, L.P.N.; Canongia Lopes, J.N.. "Vaporisation of a Dicationic Ionic Liquid Revisited". ChemPhysChem 11 17 (2010): 3673-3677. http://www.scopus.com/inward/record.url?eid=2-s2.0-78649648143&partnerID=MN8TOARS.
    10.1002/cphc.201000723
  104. Lopes, J.N.C.; Rebelo, L.P.N.. "Ionic liquids and reactive azeotropes: The continuity of the aprotic and protic classes". Physical Chemistry Chemical Physics 12 8 (2010): 1948-1952. http://www.scopus.com/inward/record.url?eid=2-s2.0-77149140428&partnerID=MN8TOARS.
    10.1039/b922524m
  105. Oliveira, F.S.; Freire, M.G.; Carvalho, P.J.; Coutinho, J.A.P.; Lopes, J.N.C.; Rebelo, L.P.N.; Marrucho, I.M.. "Structural and positional isomerism influence in the physical properties of pyridinium NTf2-based ionic liquids: Pure and water-saturated mixtures". Journal of Chemical and Engineering Data 55 10 (2010): 4514-4520. http://www.scopus.com/inward/record.url?eid=2-s2.0-77956530352&partnerID=MN8TOARS.
    10.1021/je100377k
  106. Shimizu, K.; Tariq, M.; Rebelo, L. P. N.; Lopes, J. N. C.. "Binary mixtures of ionic liquids with a common ion revisited: A molecular dynamics simulation study". Journal of Molecular Liquids 153 1 (2010): 52-56. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000277650400010&KeyUID=WOS:000277650400010.
    10.1016/j.molliq.2009.07.012
  107. Shimizu, K.; Tariq, M.; Gomes, M. F. C.; Rebelo, L. P. N.; Lopes, J. N. C.. "Assessing the Dispersive and Electrostatic Components of the Cohesive Energy or Ionic Liquids Using Molecular Dynamics Simulations and Molar Refraction Data". Journal of Physical Chemistry B 114 17 (2010): 5831-5834. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000277053900027&KeyUID=WOS:000277053900027.
    10.1021/jp101910c
  108. Leskiv, M.; Bernardes, C. E. S.; da Piedade, M. E. M.; Lopes, J. N. C.. "Energetics of Aqueous Solutions of the Ionic Liquid 1-Ethyl-3-methylimidazolium Ethylsulfate". Journal of Physical Chemistry B 114 41 (2010): 13179-13188. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000282855100020&KeyUID=WOS:000282855100020.
    10.1021/jp1067473
  109. Umebayashi, Y.; Hamano, H.; Tsuzuki, S.; Lopes, J. N. C.; Padua, A. A. H.; Kameda, Y.; Kohara, S.; et al. "Dependence of the Conformational Isomerism in 1-n-Butyl-3-methylimidazolium Ionic Liquids on the Nature of the Halide Anion". Journal of Physical Chemistry B 114 36 (2010): 11715-11724. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000281404500004&KeyUID=WOS:000281404500004.
    10.1021/jp1044755
  110. Shimizu, K.; Padua, A. A. H.; Lopes, J. N. C.. "Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics". Journal of Physical Chemistry B 114 47 (2010): 15635-15641. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000284454500026&KeyUID=WOS:000284454500026.
    10.1021/jp108420x
  111. Freire, M. G.; Neves, Cmss; Shimizu, K.; Bernardes, C. E. S.; Marrucho, I. M.; Coutinho, J. A. P.; Lopes, J. N. C.; Rebelo, L. P. N.. "Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids". Journal of Physical Chemistry B 114 48 (2010): 15925-15934. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000284738800024&KeyUID=WOS:000284738800024.
    10.1021/jp1093788
  112. Ruivo, D.; Pereiro, A. B.; Lopes, J. N. C.; Rebelo, L. P. N.; Esperanca, Jmss. "Phase behavior of ionic liquids - fluorinated compounds mixtures". Abstracts of Papers of the American Chemical Society 239 (2010): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000208189304401&KeyUID=WOS:000208189304401.
  113. Pereiro, A. B.; Deive, F. J.; Rodriguez, A.; Ruivo, D.; Lopes, J. N. C.; Esperanca, Jmss; Rebelo, L. P. N.. "New Insight into Phase Equilibria Involving Imidazolium Bistriflamide Ionic Liquids and Their Mixtures with Alcohols and Water". Journal of Physical Chemistry B 114 27 (2010): 8978-8985. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000279507800020&KeyUID=WOS:000279507800020.
    10.1021/jp104245g
  114. Tariq, M.; Serro, A. P.; Mata, J. L.; Saramago, B.; Esperanca, Jmss; Lopes, J. N. C.; Rebelo, L. P. N.. "High-temperature surface tension and density measurements of 1-alkyl-3-methylimidazolium bistriflamide ionic liquids". Fluid Phase Equilibria 294 1-2 (2010): 131-138. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000279622800017&KeyUID=WOS:000279622800017.
    10.1016/j.fluid.2010.02.020
  115. Freire, Mara G.; Neves, Catarina M. S. S.; Marrucho, Isabel M.; Lopes, Jose N. Canongia; Rebelo, Luis Paulo N.; Coutinho, Joao A. P.. "High-performance extraction of alkaloids using aqueous two-phase systems with ionic liquids". Green Chemistry 12 10 (2010): 1715-1718. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000282586000005&KeyUID=WOS:000282586000005.
    10.1039/c0gc00179a
  116. Shimizu, K.; Almantariotis, D.; Gomes, M. F. C.; Padua, A. A. H.; Lopes, J. N. C.. "Molecular Force Field for Ionic Liquids V: Hydroxyethylimidazolium, Dimethoxy-2-Methylimidazolium, and Fluoroalkylimidazolium Cations and Bis(Fluorosulfonyl)Amide, Perfluoroalkanesulfonylamide, and Fluoroalkylfluorophosphate Anions". Journal of Physical Chemistry B 114 10 (2010): 3592-3600. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000275328400024&KeyUID=WOS:000275328400024.
    10.1021/jp9120468
  117. Oliveira, F. S.; Freire, M. C.; Carvalho, P. I.; Coutinho, J. A. P.; Lopes, J. N. C.; Rebelo, L. P. N.; Marrucho, I. M.. "Structural and Positional Isomerism Influence in the Physical Properties of Pyridinium NTf2-Based Ionic Liquids: Pure and Water-Saturated Mixtures". Journal of Chemical and Engineering Data 55 10 (2010): 4514-4520. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000282848400061&KeyUID=WOS:000282848400061.
    10.1021/jc100377k
  118. Blesic, M.; Lopes, J. N. C.; Gomes, M. F. C.; Rebelo, L. P. N.. "Solubility of alkanes, alkanols and their fluorinated counterparts in tetraalkylphosphonium ionic liquids". Physical Chemistry Chemical Physics 12 33 (2010): 9685-9692. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000281007200015&KeyUID=WOS:000281007200015.
    10.1039/c003408h
  119. Esperança, J.M.S.S.; Lopes, J.N.C.; Tariq, M.; Santos, L.M.N.B.F.; Magee, J.W.; Rebelo, L.P.N.. "Volatility of aprotic ionic liquids- A review". Journal of Chemical and Engineering Data 55 1 (2010): 3-12. http://www.scopus.com/inward/record.url?eid=2-s2.0-75449096193&partnerID=MN8TOARS.
    10.1021/je900458w
  120. Berg, R.W.; Canongia Lopes, J.N.; Ferreira, R.; Rebelo, L.P.N.; Seddon, K.R.; Tomaszowska, A.A.. "Raman spectroscopic study of the vapor phase of 1-methylimidazolium ethanoate, a protic ionic liquid". Journal of Physical Chemistry A 114 40 (2010): 10834-10841. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957831382&partnerID=MN8TOARS.
    10.1021/jp1050639
  121. Deive, F.J.; Rodríguez, A.; Pereiro, A.B.; Shimizu, K.; Forte, P.A.S.; Romão, C.C.; Canongia Lopes, J.N.; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Phase equilibria of haloalkanes dissolved in ethylsulfate- or ethylsulfonate-based ionic liquids". Journal of Physical Chemistry B 114 21 (2010): 7329-7337. http://www.scopus.com/inward/record.url?eid=2-s2.0-77952928087&partnerID=MN8TOARS.
    10.1021/jp1025015
  122. Vitorino, J.; Leal, J.P.; Minas Da Piedade, M.E.; Canongia Lopes, J.N.; Esperança, J.M.S.S.; Rebelo, L.P.N.. "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". Journal of Physical Chemistry B 114 27 (2010): 8905-8909. http://www.scopus.com/inward/record.url?eid=2-s2.0-77954489445&partnerID=MN8TOARS.
    10.1021/jp1042798
  123. Shimizu, K.; Costa Gomes, M.F.; Pádua, A.A.H.; Rebelo, L.P.N.; Canongia Lopes, J.N.. "Three commentaries on the nano-segregated structure of ionic liquids". Journal of Molecular Structure: THEOCHEM 946 1-3 (2010): 70-76. http://www.scopus.com/inward/record.url?eid=2-s2.0-77649191012&partnerID=MN8TOARS.
    10.1016/j.theochem.2009.11.034
  124. Ruivo, D.; Pereiro, A.B.; Esperança, J.M.S.S.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Rationalizing the diverse solid-liquid equilibria of binary mixtures of benzene and its fluorinated derivatives". Journal of Physical Chemistry B 114 39 (2010): 12589-12596. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957309996&partnerID=MN8TOARS.
    10.1021/jp105639p
  125. de Castro, C.A.N.; Langa, E.; Morais, A.L.; Lopes, M.L.M.; Lourenço, M.J.; Santos, F.J.; Santos, M.S.C.; et al. "Studies on the density, heat capacity, surface tension and infinite dilution diffusion with the ionic liquids [C4mim][NTf2], [C4mim][dca], [C2mim][EtOSO3] and [Aliquat][dca]". Fluid Phase Equilibria 294 1-2 (2010): 157-179. http://www.scopus.com/inward/record.url?eid=2-s2.0-77956341317&partnerID=MN8TOARS.
    10.1016/j.fluid.2010.03.010
  126. Rebelo, L. P. N.; Lopes, J. N. C.. "Snapshots of recent experimental measurements on not-so-common systems, sometimes under not-so-common conditions". Abstracts of Papers of the American Chemical Society 239 (2010): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000208189304252&KeyUID=WOS:000208189304252.
  127. Koddermann, T.; Fumino, K.; Ludwig, R.; CanongiaLopes, J.N.; Padua, A.A.H.. "What far-infrared spectra can contribute to the development of force fields for ionic liquids used in molecular dynamics simulations". ChemPhysChem 10 8 (2009): 1181-1186. http://www.scopus.com/inward/record.url?eid=2-s2.0-66749083299&partnerID=MN8TOARS.
    10.1002/cphc.200900144
  128. Gomes, M.F.C.; Lopes, J.N.C.; Padua, A.A.H.. "Thermodynamics and micro heterogeneity of ionic liquids". Topics in Current Chemistry 290 (2009): 161-183. http://www.scopus.com/inward/record.url?eid=2-s2.0-75649130403&partnerID=MN8TOARS.
    10.1007/128_2009_2
  129. Shimizu, K.; Gomes, M.F.C.; Padua, A.A.H.; Rebelo, L.P.N.; Lopes, J.N.C.. "On the role of the dipole and quadrupole moments of aromatic compounds in the solvation by ionic liquids". Journal of Physical Chemistry B 113 29 (2009): 9894-9900. http://www.scopus.com/inward/record.url?eid=2-s2.0-67650828997&partnerID=MN8TOARS.
    10.1021/jp903556q
  130. Blesic, M.; Swadzba-Kwasny, M.; Belhocine, T.; Gunaratne, H.Q.N.; Lopes, J.N.C.; Gomes, M.F.C.; Pádua, A.A.H.; Seddon, K.R.; Rebelo, L.P.N.. "1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [C nH2n+1mim][CkH 2k+1SO3]: Synthesis and physicochemical properties". Physical Chemistry Chemical Physics 11 39 (2009): 8939-8948. http://www.scopus.com/inward/record.url?eid=2-s2.0-70349887574&partnerID=MN8TOARS.
    10.1039/b910177m
  131. Gutel, T.; Santini, C.C.; Pádua, A.A.H.; Fenet, B.; Chauvin, Y.; Lopes, J.N.C.; Bayard, F.; Gomes, M.F.C.; Pensado, A.S.. "Interaction between the p-system of toluene and the imidazolium ring of ionic liquids: A combined NMR and Molecular Simulation Study". Journal of Physical Chemistry B 113 1 (2009): 170-177. http://www.scopus.com/inward/record.url?eid=2-s2.0-61949148090&partnerID=MN8TOARS.
    10.1021/jp805573t
  132. Leal, J.P.; Minas Da Piedade, M.E.; Canongia Lopes, J.N.; Tomaszowska, A.A.; Esperança, J.M.S.S.; Rebelo, L.P.N.; Seddon, K.R.. "Bridging the gap between ionic liquids and molten salts: Group 1 metal salts of the bistriflamide anion in the gas phase". Journal of Physical Chemistry B 113 11 (2009): 3491-3498. http://www.scopus.com/inward/record.url?eid=2-s2.0-65249090355&partnerID=MN8TOARS.
    10.1021/jp811039b
  133. Blesic, M.; Swadzba-Kwasny, M.; Holbrey, J.D.; Canongia Lopes, J.N.; Seddon, K.R.; Rebelo, L.P.N.. "New catanionic surfactants based on 1-alkyl-3-methylimidazolium alkylsulfonates, [CnH2n+1mim][CmH 2m+1SO3]: Mesomorphism and aggregation". Physical Chemistry Chemical Physics 11 21 (2009): 4260-4268. http://www.scopus.com/inward/record.url?eid=2-s2.0-65949097717&partnerID=MN8TOARS.
    10.1039/b822341f
  134. Tariq, M.; Forte, P.A.S.; Gomes, M.F.C.; Lopes, J.N.C.; Rebelo, L.P.N.. "Densities and refractive indices of imidazolium- and phosphonium-based ionic liquids: Effect of temperature, alkyl chain length, and anion". Journal of Chemical Thermodynamics 41 6 (2009): 790-798. http://www.scopus.com/inward/record.url?eid=2-s2.0-62649172604&partnerID=MN8TOARS.
    10.1016/j.jct.2009.01.012
  135. Umebayashi, Y.; Mitsugi, T.; Fujii, K.; Seki, S.; Chiba, K.; Yamamoto, H.; Lopes, J.N.C.; et al. "Raman spectroscopic study, dft calculations and md simulations on the conformational isomerism of n-alkyl-n-methylpyrrolidinium bis- (trifluoromethanesulfonyl) amide ionic liquids". Journal of Physical Chemistry B 113 13 (2009): 4338-4346. http://www.scopus.com/inward/record.url?eid=2-s2.0-65249174098&partnerID=MN8TOARS.
    10.1021/jp9009146
  136. Blesic, M.; Canongia Lopes, J.N.; Pádua, A.A.H.; Shimizu, K.; Costa Gomes, M.F.; Rebelo, L.P.N.. "Phase equilibria in ionic liquid-aromatic compound mixtures, including benzene fluorination effects". Journal of Physical Chemistry B 113 21 (2009): 7631-7636. http://www.scopus.com/inward/record.url?eid=2-s2.0-66749161504&partnerID=MN8TOARS.
    10.1021/jp902178g
  137. Picciochi, R.; Lopes, J.N.C.; Diogo, H.P.; Da Piedade, M.E.M.. "Experimental and molecular dynamics simulation study of the sublimation energetics of cyclopentadienyltricarbonylmanganese (cymantrene)". Journal of Physical Chemistry A 112 41 (2008): 10429-10434. http://www.scopus.com/inward/record.url?eid=2-s2.0-55149101136&partnerID=MN8TOARS.
    10.1021/jp805607d
  138. Lousada, C.M.; Pinto, S.S.; Canongia Lopes, J.N.; Minas Da Piedade, M.F.; Diogo, H.P.; Minas Da Piedade, M.E.. "Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. Crystal structures of Fe(¿5-C5H4CH3)2 and Fe[¿5-(C5H5)(¿5-C 5H4CHO)]". Journal of Physical Chemistry A 112 13 (2008): 2977-2987. http://www.scopus.com/inward/record.url?eid=2-s2.0-47149083078&partnerID=MN8TOARS.
    10.1021/jp7107818
  139. Lopes, J.N.C.; Shimizu, K.; Pádua, A.A.H.; Umebayashi, Y.; Fukuda, S.; Fujii, K.; Ishiguro, S.-I.. "Potential energy landscape of bis(fluorosulfonyl)amide". Journal of Physical Chemistry B 112 31 (2008): 9449-9455. http://www.scopus.com/inward/record.url?eid=2-s2.0-49649106699&partnerID=MN8TOARS.
    10.1021/jp803309c
  140. Paulo, P.M.R.; Lopes, J.N.C.; Costa, S.M.B.. "Molecular dynamics simulations of porphyrin-dendrimer systems: Toward modeling electron transfer in solution". Journal of Physical Chemistry B 112 47 (2008): 14779-14792. http://www.scopus.com/inward/record.url?eid=2-s2.0-57449108708&partnerID=MN8TOARS.
    10.1021/jp806849y
  141. Canongia Lopes, J.N.; Pádua, A.A.H.; Shimizu, K.. "Molecular force field for ionic liquids IV: Trialkylimidazolium and alkoxycarbonyl-imidazolium cations; alkylsulfonate and alkylsulfate anions". Journal of Physical Chemistry B 112 16 (2008): 5039-5046. http://www.scopus.com/inward/record.url?eid=2-s2.0-46849107769&partnerID=MN8TOARS.
    10.1021/jp800281e
  142. Blesic, M.; Lopes, A.; Melo, E.; Petrovski, Z.; Plechkova, N.V.; Canongia Lopes, J.N.; Seddon, K.R.; Rebelo, L.P.N.. "On the self-aggregation and fluorescence quenching aptitude of surfactant ionic liquids". Journal of Physical Chemistry B 112 29 (2008): 8645-8650. http://www.scopus.com/inward/record.url?eid=2-s2.0-49149086566&partnerID=MN8TOARS.
    10.1021/jp802179j
  143. Esperança, J.M.S.S.; Guedes, H.J.R.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Pressure-density-temperature (p-¿-T) surface of [C6mim] [NTf2]". Journal of Chemical and Engineering Data 53 3 (2008): 867-870. http://www.scopus.com/inward/record.url?eid=2-s2.0-51949092317&partnerID=MN8TOARS.
    10.1021/je700628w
  144. Pison, L.; Canongia Lopes, J.N.; Rebelo, L.P.N.; Padua, A.A.H.; Costa Gomes, M.F.. "Interactions of fluorinated gases with ionic liquids: Solubility of CF 4, C2F6, and C3F8 in trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide". Journal of Physical Chemistry B 112 39 (2008): 12394-12400. http://www.scopus.com/inward/record.url?eid=2-s2.0-54249139249&partnerID=MN8TOARS.
    10.1021/jp8051714
  145. Ferreira, R.; Blesic, M.; Trindade, J.; Marrucho, I.; Lopes, J.N.C.; Rebelo, L.P.N.. "Solubility of fluorinated compounds in a range of ionic liquids. Cloud-point temperature dependence on composition and pressure". Green Chemistry 10 9 (2008): 918-928. http://www.scopus.com/inward/record.url?eid=2-s2.0-50249105343&partnerID=MN8TOARS.
    10.1039/b805902k
  146. Canongia Lopes, J.N.; Shimizu, K.; Pádua, A.A.H.; Umebayashi, Y.; Fukoda, S.; Fujii, K.; Ishiguro, S.-I.. "A tale of two ions: The conformational landscapes of bis(trifluoromethanesulfonyl)amide and N,N-dialkylpyrrolidinium". Journal of Physical Chemistry B 112 5 (2008): 1465-1472. http://www.scopus.com/inward/record.url?eid=2-s2.0-39649083802&partnerID=MN8TOARS.
    10.1021/jp076997a
  147. Blesic, M.; Lopes, Jnac; Rebelo, L. P. N.. "I&EC 128-Phase equilibria in ionic liquid plus aromatic compound binary systems". Abstracts of Papers of the American Chemical Society 236 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000270256305099&KeyUID=WOS:000270256305099.
  148. Tariq, M.; Lopes, Jnac; Rebelo, L. P. N.. "I&EC 127-Molar refraction in a series of imidazolium- and phosphonium-based ionic liquids". Abstracts of Papers of the American Chemical Society 236 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000270256305096&KeyUID=WOS:000270256305096.
  149. Shimizu, K.; Umebayashi, Y.; Fujii, K.; Padua, A. A. H.; Lopes, Jnac. "I&EC 148-The potential energy landscape of bis(fluorosulfonyl)amide". Abstracts of Papers of the American Chemical Society 236 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000270256305098&KeyUID=WOS:000270256305098.
  150. Blesic, M.; Lopes, A.; Melo, E.; Petrovski, Z.; Plechkova, N.; Lopes, Jnac; Seddon, K. R.; Rebelo, L. P. N.. "I&EC 129-Self-aggregation and fluorescence quenching of surfactant ionic liquids". Abstracts of Papers of the American Chemical Society 236 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000270256305097&KeyUID=WOS:000270256305097.
  151. Visak, Z. P.; Rodriguez, A.; Pereiro, A. B.; Lopes, Jnac; Rebelo, L. P. N.. "I&EC 113-Pyridine and nicotine as solvents for ionic liquids with related cationic structure". Abstracts of Papers of the American Chemical Society 236 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000270256305114&KeyUID=WOS:000270256305114.
  152. Padua, A. A. H.; Lopes, Jnac; Gomes, M. F. C.; Pensado, A. S.. "I&EC 163-Interactions, structure and properties of ionic liquids from molecular simulation". Abstracts of Papers of the American Chemical Society 236 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000270256305086&KeyUID=WOS:000270256305086.
  153. Ferreira, R.; Blesic, M.; Trindade, J.; Marrucho, I. M.; Lopes, Jnac; Rebelo, L. P. N.. "I&EC 158-Solubility of fluorinated compounds in ionic liquids". Abstracts of Papers of the American Chemical Society 236 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000270256305095&KeyUID=WOS:000270256305095.
  154. Lopes, J. N. C.; Rebelo, L. P. N.. "Salting effects in ionic liquid aqueous solutions - From aqueous biphasic system formation to salting agent precipitation". Chimica Oggi-Chemistry Today 25 6 (2007): 37-39. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000256192900010&KeyUID=WOS:000256192900010.
  155. Paulo, P.M.R.; Lopes, J.N.C.; Costa, S.M.B.. "Molecular dynamics simulations of charged dendrimers: Low-to-intermediate half-generation PAMAMs". Journal of Physical Chemistry B 111 36 (2007): 10651-10664. http://www.scopus.com/inward/record.url?eid=2-s2.0-34848888946&partnerID=MN8TOARS.
    10.1021/jp072211x
  156. Visak, Z.P.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Ionic liquids in polyethylene glycol aqueous solutions: Salting-in and salting-out effects". Monatshefte fur Chemie 138 11 (2007): 1153-1157. http://www.scopus.com/inward/record.url?eid=2-s2.0-35648997963&partnerID=MN8TOARS.
    10.1007/s00706-007-0721-3
  157. Visak, Z.P.; Yague, S.L.; Lopes, J.N.C.; Rebelo, L.P.N.. "Nicotine: On the potential role of ionic liquids for its processing and purification". Journal of Physical Chemistry B 111 28 (2007): 7934-7937. http://www.scopus.com/inward/record.url?eid=2-s2.0-34547539125&partnerID=MN8TOARS.
    10.1021/jp073788h
  158. Najdanovic-Visak, V.; Canongia Lopes, J.N.; Visak, Z.P.; Trindade, J.; Rebelo, L.P.N.. "Salting-out in aqueous solutions of ionic liquids and K 3PO 4: Aqueous biphasic systems and salt precipitation". International Journal of Molecular Sciences 8 8 (2007): 736-748. http://www.scopus.com/inward/record.url?eid=2-s2.0-34548387513&partnerID=MN8TOARS.
    10.3390/i8080736
  159. Pádua, A.A.H.; Lopes, J.N.A.C.. "Intra- and intermolecular structure of ionic liquids: From conformers to nanostructures". ACS Symposium Series 975 (2007): 86-101. http://www.scopus.com/inward/record.url?eid=2-s2.0-36749022079&partnerID=MN8TOARS.
  160. Pádua, A.A.H.; Costa Gomes, M.F.; Canongia Lopes, J.N.A.. "Molecular solutes in ionic liquids: A structural perspective". Accounts of Chemical Research 40 11 (2007): 1087-1096. http://www.scopus.com/inward/record.url?eid=2-s2.0-37349040750&partnerID=MN8TOARS.
    10.1021/ar700050q
  161. Rebelo, L.P.N.; Canongia Lopes, J.N.; Esperança, J.M.S.S.; Guedes, H.J.R.; Lachwa, J.; Najdanovic-Visak, V.; Visak, Z.P.. "Accounting for the unique, doubly dual nature of ionic liquids from a molecular thermodynamic and modeling standpoint". Accounts of Chemical Research 40 11 (2007): 1114-1121. http://www.scopus.com/inward/record.url?eid=2-s2.0-36749086203&partnerID=MN8TOARS.
    10.1021/ar7000556
  162. Trindade, J.R.; Visak, Z.P.; Blesic, M.; Marrucho, I.M.; Coutinho, J.A.P.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Salting-out effects in aqueous ionic liquid solutions: Cloud-point temperature shifts". Journal of Physical Chemistry B 111 18 (2007): 4737-4741. http://www.scopus.com/inward/record.url?eid=2-s2.0-34249710740&partnerID=MN8TOARS.
    10.1021/jp067022d
  163. Leal, J.P.; Esperança, J.M.S.S.; Da Piedade, M.E.M.; Lopes, J.N.C.; Rebelo, L.P.N.; Seddon, K.R.. "The nature of ionic liquids in the gas phase". Journal of Physical Chemistry A 111 28 (2007): 6176-6182. http://www.scopus.com/inward/record.url?eid=2-s2.0-34547533399&partnerID=MN8TOARS.
    10.1021/jp073006k
  164. Santos, L.M.N.B.F.; Lopes, J.N.C.; Coutinho, J.A.P.; Esperança, J.M.S.S.; Gomes, L.R.; Marrucho, I.M.; Rebelo, L.P.N.. "Ionic liquids: First direct determination of their cohesive energy". Journal of the American Chemical Society 129 2 (2007): 284-285. http://www.scopus.com/inward/record.url?eid=2-s2.0-33846227529&partnerID=MN8TOARS.
    10.1021/ja067427b
  165. Cruz, F.J.A.L.; Lopes, J.N.C.; Calado, J.C.G.. "Molecular dynamics simulations of monoclinic calcium apatites: A universal equation of state". Fluid Phase Equilibria 253 2 (2007): 142-146. http://www.scopus.com/inward/record.url?eid=2-s2.0-33947356544&partnerID=MN8TOARS.
    10.1016/j.fluid.2007.02.018
  166. Earle, M.J.; Esperança, J.M.S.S.; Gilea, M.A.; Lopes, J.N.C.; Rebelo, L.P.N.; Magee, J.W.; Seddon, K.R.; Widegren, J.A.. "The distillation and volatility of ionic liquids". Nature 439 7078 (2006): 831-834. http://www.scopus.com/inward/record.url?eid=2-s2.0-32844467938&partnerID=MN8TOARS.
    10.1038/nature04451
  167. Santos, R.C.; Bernardes, C.E.S.; Diogo, H.P.; Fátirna, M.; Piedade, M.; Canongia Lopes, J.N.; Minas Da Piedade, M.E.. "Energetics of the thermal dimerization of acenaphthylene to heptacyclene". Journal of Physical Chemistry A 110 6 (2006): 2299-2307. http://www.scopus.com/inward/record.url?eid=2-s2.0-33644783050&partnerID=MN8TOARS.
    10.1021/jp056275o
  168. Canongia Lopes, J.N.A.; Pádua, A.A.H.. "Using spectroscopic data on imidazolium cation conformations to test a molecular force field for ionic liquids". Journal of Physical Chemistry B 110 14 (2006): 7485-7489. http://www.scopus.com/inward/record.url?eid=2-s2.0-33646247617&partnerID=MN8TOARS.
    10.1021/jp057533k
  169. Lachwa, J.; Bento, I.; Duarte, M.T.; Lopes, J.N.C.; Rebelo, L.P.N.. "Condensed phase behaviour of ionic liquid-benzene mixtures: Congruent melting of a [emim][NTf2]·C6H6 inclusion crystal". Chemical Communications 23 (2006): 2445-2447. http://www.scopus.com/inward/record.url?eid=2-s2.0-33745046627&partnerID=MN8TOARS.
    10.1039/b602675c
  170. Cruz, F.J.A.L.; Lopes, J.N.C.; Calado, J.C.G.. "Molecular dynamics simulations of molten calcium hydroxyapatite". Fluid Phase Equilibria 241 1-2 (2006): 51-58. http://www.scopus.com/inward/record.url?eid=2-s2.0-33644668610&partnerID=MN8TOARS.
    10.1016/j.fluid.2005.12.021
  171. Padua, A. A. H.; Lopes, Jnac; Canongia Lopes, J.N.A.; Pádua, A.A.H.. "Nanostructural organization in ionic liquids". Abstracts of Papers of the American Chemical Society 231 7 (2006): 3330-3335. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000238125904619&KeyUID=WOS:000238125904619.
    10.1021/jp056006y
  172. Lopes, Jnac; Padua, A. A. H.. "Conformers of 1-alkyl-3-methylimidazolium cations contained in ionic liquids". Abstracts of Papers of the American Chemical Society 231 (2006): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000238125904715&KeyUID=WOS:000238125904715.
  173. Lopes, Jnac; Rebelo, L. P. N.. "PHYS 9-Exploring the multiple faces (and phases) of ionic liquids and their mixtures". Abstracts of Papers of the American Chemical Society 232 (2006): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000207781609380&KeyUID=WOS:000207781609380.
  174. Lachwa, J.; Morgado, P.; Esperança, J.M.S.S.; Guedes, H.J.R.; Canongia Lopes, J.N.; Rebelo, L.P.N.. "Fluid-phase behavior of {1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, [C6mim][NTf2], + C2-C8 n-alcohol} mixtures: Liquid-liquid equilibrium and excess volumes". Journal of Chemical and Engineering Data 51 6 (2006): 2215-2221. http://www.scopus.com/inward/record.url?eid=2-s2.0-33751368788&partnerID=MN8TOARS.
    10.1021/je060307z
  175. Cruz, F.J.A.L.; Canongia Lopes, J.N.; Calado, J.C.G.. "Molecular dynamics study of the thermodynamic properties of calcium apatites. 2. Monoclinic phases". Journal of Physical Chemistry B 110 9 (2006): 4387-4392. http://www.scopus.com/inward/record.url?eid=2-s2.0-33645673204&partnerID=MN8TOARS.
    10.1021/jp055808q
  176. Lopes, J.N.C.; Do Couto, P.C.; Da Piedade, M.E.M.; Lopes, J. N. C.; do Couto, P. C.; da Piedade, M. E. M.. "An all-atom force field for metallocenes". Journal of Physical Chemistry A 110 51 (2006): 13850-13856. http://www.scopus.com/inward/record.url?eid=2-s2.0-33846341767&partnerID=MN8TOARS.
    10.1021/jp062896l
  177. Canongia Lopes, J.N.; Costa Gomes, M.F.; Pádua, A.A.H.. "Nonpolar, polar, and associating solutes in ionic liquids". Journal of Physical Chemistry B 110 34 (2006): 16816-16818. http://www.scopus.com/inward/record.url?eid=2-s2.0-33748778211&partnerID=MN8TOARS.
    10.1021/jp063603r
  178. Canongia Lopes, J.N.; Pádua, A.A.H.. "Molecular force field for ionic liquids III: Imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions". Journal of Physical Chemistry B 110 39 (2006): 19586-19592. http://www.scopus.com/inward/record.url?eid=2-s2.0-33750349101&partnerID=MN8TOARS.
    10.1021/jp063901o
  179. Cruz, F.J.A.L.; Canongia Lopes, J.N.; Calado, J.C.G.; Minas Da Piedade, M.E.. "A molecular dynamics study of the thermodynamic properties of calcium apatites. 1. Hexagonal phases". Journal of Physical Chemistry B 109 51 (2005): 24473-24479. http://www.scopus.com/inward/record.url?eid=2-s2.0-30344432407&partnerID=MN8TOARS.
    10.1021/jp054304p
  180. Lopes, J.N.C.; Deschamps, J.; Pádua, A.A.H.. "Modeling ionic liquids of the 1-alky 1-3-methylimidazolium family using an all-atom force field". ACS Symposium Series 901 (2005): 134-149. http://www.scopus.com/inward/record.url?eid=2-s2.0-49249084384&partnerID=MN8TOARS.
  181. Canongia Lopes, J.N.; Cordeiro, T.C.; Esperança, J.M.S.S.; Guedes, H.J.R.; Huq, S.; Rebelo, L.P.N.; Seddon, K.R.. "Deviations from ideality in mixtures of two ionic liquids containing a common ion". Journal of Physical Chemistry B 109 8 (2005): 3519-3525. http://www.scopus.com/inward/record.url?eid=2-s2.0-14844341292&partnerID=MN8TOARS.
    10.1021/jp0458699
  182. Rebelo, L.P.N.; Lopes, J.N.C.; Esperança, J.M.S.S.; Filipe, E.. "On the critical temperature, normal boiling point, and vapor pressure of ionic liquids". Journal of Physical Chemistry B 109 13 (2005): 6040-6043. http://www.scopus.com/inward/record.url?eid=2-s2.0-17044416891&partnerID=MN8TOARS.
    10.1021/jp050430h
  183. Lopes, J.N.C.; Pádua, A.A.H.. "Molecular force field for ionic liquids composed of triflate or bistriflylimide anions". Journal of Physical Chemistry B 108 43 (2004): 16893-16898. http://www.scopus.com/inward/record.url?eid=2-s2.0-8344262237&partnerID=MN8TOARS.
    10.1021/jp0476545
  184. Canongia Lopes, J.N.. "On the classification and representation of ternary phase diagrams: The yin and yang of a T-x approach". Physical Chemistry Chemical Physics 6 9 (2004): 2314-2319. http://www.scopus.com/inward/record.url?eid=2-s2.0-2942548113&partnerID=MN8TOARS.
    10.1039/b315799g
  185. Lopes, J.N.C.; Deschamps, J.; Pádua, A.A.H.. "Erratum: Modeling ionic liquids using a systematic all-atom force field (Journal of Physical Chemistry B (2004) 104B (2038))". Journal of Physical Chemistry B 108 30 (2004): http://www.scopus.com/inward/record.url?eid=2-s2.0-4043134657&partnerID=MN8TOARS.
  186. Canongia Lopes, J.N.; Deschamps, J.; Pádua, A.A.H.. "Modeling Ionic Liquids Using a Systematic All-Atom Force Field". Journal of Physical Chemistry B 108 6 (2004): 2038-2047. http://www.scopus.com/inward/record.url?eid=2-s2.0-1342344772&partnerID=MN8TOARS.
  187. Lopes, J. N. C.; Jancso, G.; Lopes, J.N.C.. "Analysis of structural properties in isotopic mixtures: molecular dynamics methods and Kirkwood-Buff integrals". Journal of Molecular Liquids 112 3 (2004): 147-152. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000221419400005&KeyUID=WOS:000221419400005.
    10.1016/j.molliq..2004.02.022
  188. Lopes, J. N. C.; Deschamps, J.; Padua, A. A. H.. "Modeling ionic liquids using a systematic all-atom force field (vol 104B, pg 2038, 2004)". Journal of Physical Chemistry B 108 30 (2004): 11250-11250. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000222864200086&KeyUID=WOS:000222864200086.
    10.1021/jp0362133
  189. Lopes, J.N.C.; Pádua, A.A.H.; Rebelo, L.P.N.; Bigeleisen, J.. "Calculation of vapor pressure isotope effects in the rare gases and their mixtures using an integral equation theory". Journal of Chemical Physics 118 11 (2003): 5028-5037. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037444590&partnerID=MN8TOARS.
    10.1063/1.1545445
  190. Lopes, Jnac; Padua, A. A. H.; Deschamps, J.. "Modeling ionic liquids using an extended OPLS-AA force field". Abstracts of Papers of the American Chemical Society 226 (2003): U618-U618. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000187062402932&KeyUID=WOS:000187062402932.
  191. Rebelo, L. P. N.; Najdanovic-Visak, V.; de Azevedo, R. G.; Esperanca, J. M.; da Ponte, M. N.; Guedes, H. J.; Visak, Z. P.; et al. "Phase behavior and thermodynamic properties of ionic liquids, ionic liquid mixtures, and ionic liquid solutions". Abstracts of Papers of the American Chemical Society 226 (2003): U616-U616. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000187062402922&KeyUID=WOS:000187062402922.
  192. Canongia Lopes, J.N.. "Microphase separation in mixtures of Lennard-Jones particles". Physical Chemistry Chemical Physics 4 6 (2002): 949-954. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036210505&partnerID=MN8TOARS.
    10.1039/b108845a
  193. Bacsik, Z.; Canongia Lopes, J.N.; Costa Gomes, M.F.; Jancsó, G.; Mink, J.; Pádua, A.A.H.. "Solubility isotope effects in aqueous solutions of methane". Journal of Chemical Physics 116 24 (2002): 10816-10824. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037157722&partnerID=MN8TOARS.
    10.1063/1.1480012
  194. Lopes, J.N.C.; Rebelo, L.P.N.; Bigeleisen, J.. "Isotopic krypton mixtures revisited: Vapor pressure isotope effects". Journal of Chemical Physics 117 19 (2002): 8836-8841. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037113210&partnerID=MN8TOARS.
    10.1063/1.1514230
  195. Canongia Lopes, J.N.; Rebelo, L.P.N.; Calado, J.C.G.. "Deviations from ideal behavior in isotopic mixtures of ammonia". Journal of Chemical Physics 115 12 (2001): 5546-5553. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035934494&partnerID=MN8TOARS.
    10.1063/1.1396671
  196. Calado, J.C.G.; Dias, F.A.; Lopes, J.N.C.; Rebelo, L.P.N.; Calado, J. C. G.; Dias, F. A.; Lopes, J. N. C.; Rebelo, L. P. N.. "Vapor pressure and related thermodynamic properties of36Ar". Journal of Physical Chemistry B 104 36 (2000): 8735-8742. http://www.scopus.com/inward/record.url?eid=2-s2.0-0034274908&partnerID=MN8TOARS.
    10.1021/jp0006936
  197. Rebelo, L.P.N.; Dias, F.A.; Lopes, J.N.C.; Calado, J.C.G.; Nunes Da Ponte, M.; Jancsó, G.. "Evidence for nonideality in the fundamental liquid mixture (36Ar+40Ar)". Journal of Chemical Physics 113 19 (2000): 8706-8716. http://www.scopus.com/inward/record.url?eid=2-s2.0-0034321285&partnerID=MN8TOARS.
    10.1063/1.1317525
  198. Lopes, J. N. C.; Tildesley, D. J.; Canongia Lopes, J.N.; Tildesley, D.J.. "Three-phase osmotic equilibria using the Gibbs ensemble simulation method". Molecular Physics 98 12 (2000): 769-772. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000087659500001&KeyUID=WOS:000087659500001.
    10.1080/002689700161974
  199. Calado, J.C.G.; Dias, F.A.; Canogia Lopes, J.N.; Nunes da Ponte, M.; Rebelo, L.P.N.. "Non-ideality of an 'ideal' liquid mixture: (36Ar + 40Ar)". Physical Chemistry Chemical Physics 2 5 (2000): 1095-1097. http://www.scopus.com/inward/record.url?eid=2-s2.0-0034161837&partnerID=MN8TOARS.
    10.1039/a910322h
  200. Canongia Lopes, J.N.; Lopes, J. N. C.. "Phase equilibra in binary Lennard-Jones mixtures: Phase diagram simulation". Molecular Physics 96 11 (1999): 1649-1658. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000226716&partnerID=MN8TOARS.
    10.1080/002689799164333
  201. Calado, J. C. G.; Lopes, J. N. C.; Calado, J.C.G.; Canongia Lopes, J.N.. "The building-up of phase diagrams". Pure and Applied Chemistry 71 7 (1999): 1183-1196. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000083690400003&KeyUID=WOS:000083690400003.
    10.1351/pac199971071183
  202. Calado, J.C.G.; Filipe, E.J.M.; Lopes, J.N.C.; Lúcio, J.M.R.; Martins, J.F.; Martins, L.F.G.; Calado, J. C. G.; et al. "Liquid mixtures involving cyclic molecules: Xenon + cyclopropane". Journal of Physical Chemistry B 101 36 (1997): 7135-7138. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031552879&partnerID=MN8TOARS.
    10.1021/jp9701956
  203. Canongia Lopes, J.N.; Tildesley, D.J.; Lopes, J. N. C.; Tildesley, D. J.. "Multiphase equilibria using the Gibbs ensemble Monte Carlo method". Molecular Physics 92 2 (1997): 187-195. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001486486&partnerID=MN8TOARS.
    10.1080/002689797170392
  204. Lopes, J.N.C.; Calado, J.C.G.; Rebelo, L.P.N.; Nunes Da Ponte, M.; Staveley, L.A.K.; Lopes, J. N. C.; Calado, J. C. G.; et al. "Thermodynamics of binary liquid mixtures of partially deuterated methanes with CH4 or CD4". Journal of Chemical Physics 106 21 (1997): 8799-8805. http://www.scopus.com/inward/record.url?eid=2-s2.0-0343213380&partnerID=MN8TOARS.
    10.1063/1.473939
  205. Calado, J. C. G.; Filipe, E. J. M.; Lopes, J. N. C.; Calado, J.C.G.; Filipe, E.J.M.; Lopes, J.N.C.. "The vapour pressure of liquid cyclopropane". Journal of Chemical Thermodynamics 29 12 (1997): 1435-1438. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000071709900005&KeyUID=WOS:000071709900005.
    10.1006/jcht.1997.0256
  206. Calado, J. C. G.; Filipe, E. J. M.; Lopes, J. N. C.; Calado, J.C.G.; Filipe, E.J.M.; Lopes, J.N.C.. "Thermodynamics of liquid propane plus cyclopropane". Fluid Phase Equilibria 135 2 (1997): 249-257. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1997XY26300007&KeyUID=WOS:A1997XY26300007.
    10.1016/s0378-3812(97)00077-0
  207. Calado, J. C. G.; Lopes, J. N. C.; daPonte, M. N.; Rebelo, L. P. N.; Calado, J.C.G.; Lopes, J.N.C.; Nunes Da Ponte, M.; Rebelo, L.P.N.. "Vapor pressure of partially deuterated methanes (CH3D, CH2D2, and CHD3)". Journal of Chemical Physics 106 21 (1997): 8792-8798. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1997XA47800019&KeyUID=WOS:A1997XA47800019.
    10.1063/1.473962
  208. Lopes, J.N.C.; Calado, J.C.G.. "Vapour pressure of liquid deuterium sulphide". Journal of Chemical Thermodynamics 28 12 (1996): 1395-1401. http://www.scopus.com/inward/record.url?eid=2-s2.0-5844369698&partnerID=MN8TOARS.
    10.1006/jcht.1996.0122
  209. Calado, J. C. G.; Deiters, U. K.; Lopes, J. N. C.; Rebelo, L. P. N.. "THE EXCESS MOLAR GIBBS ENERGY OF NUCLIDIC LIQUID-MIXTURES". Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics 99 5 (1995): 721-729. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1995RB32200004&KeyUID=WOS:A1995RB32200004.
  210. Calado, J. C. G.; Jancso, G.; Lopes, J. N. C.; Marko, L.; Daponte, M. N.; Rebelo, L. P. N.; Staveley, L. A. K.. "THE EXCESS THERMODYNAMIC PROPERTIES OF LIQUID (CH4+CD4)". Journal of Chemical Physics 100 6 (1994): 4582-4590. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1994NA91800059&KeyUID=WOS:A1994NA91800059.
    10.1063/1.466290
  211. Calado, J.C.G.; Jancsó, G.; Lopes, J.N.C.; Markó, L.; Nunes Da Ponte, M.; Rebelo, L.P.N.; Staveley, L.A.K.. "The excess thermodynamic properties of liquid (CH4+CD 4)". The Journal of Chemical Physics 100 6 (1994): 4582-4590. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000163340&partnerID=MN8TOARS.
  212. Calado, J.C.G.; Lopes, J.N.C.; Rebelo, L.P.N.. "Vapour pressure of trideuterioammonia". The Journal of Chemical Thermodynamics 24 9 (1992): 993-1000. http://www.scopus.com/inward/record.url?eid=2-s2.0-0003126266&partnerID=MN8TOARS.
    10.1016/S0021-9614(05)80009-6
  213. Lopes, J. N. C.; Rebelo, L. P. N.; Jancso, G.. "ON THE PSEUDO-GRUNEISEN PARAMETERS OF MOLECULAR LIQUIDS". Journal of Molecular Liquids 54 1-3 (1992): 115-124. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1992JW86600016&KeyUID=WOS:A1992JW86600016.
    10.1016/0167-7322(92)80074-r
  214. Calado, J. C. G.; Lopes, J. N. C.; Rebelo, L. P. N.. "VAPOR-PRESSURE OF TRIDEUTERIOAMMONIA". Journal of Chemical Thermodynamics 24 9 (1992): 993-1000. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1992JK77300009&KeyUID=WOS:A1992JK77300009.
    10.1016/s0021-9614(05)80009-6
  215. Lopes, J.N.C.; Rebelo, L.P.N.; Jancsó, G.. "On the pseudo-Grüneisen parameters of molecular liquids". Journal of Molecular Liquids 54 1-3 (1992): 115-124. http://www.scopus.com/inward/record.url?eid=2-s2.0-0026929044&partnerID=MN8TOARS.
    10.1016/0167-7322(92)80074-R
  216. Lopes, J.N.C.; Calado, J.C.G.; Jancso, G.. "Vapour pressure isotope effects in liquid hydrogen chloride". Journal of Physics: Condensed Matter 4 32 (1992): 6691-6702. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000863671&partnerID=MN8TOARS.
    10.1088/0953-8984/4/32/004

Other

Other output
  1. Densities and viscosities of mixtures of two ionic liquids containing a common cation. Density and dynamic viscosity data of binary mixtures of ionic liquids (ILs) were determined in this work, at temperatures from 283.15 to 363.15 K and at 0.1 MPa. The mixtures of two ILs comprise a common cation and different anions, combining 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide with eight other ionic liquids, namely, 1-butyl-3-methylimidazolium thiocyanate, 1-butyl-3-met. 2016. Almeida, Hugo F. D.; Lopes, José N. Canongia; Rebelo, Luís P. N.; Coutinho, João A. P.; Freire, Mara G.; Marrucho, Isabel M.; Canongia Lopes, Jose N.; Rebelo, Luis P. N.; Coutinho, Joao A. P.. http://hdl.handle.net/10773/18314.
    10.1021/acs.jced.6b00178
  2. Influence of Nanosegregation on the Surface Tension of Fluorinated Ionic Liquids. We have investigated, both theoretically and experimentally, the balance between the presence of alkyl and perfluoroalkyl side chains on the surface organization and surface tension of fluorinated ionic liquids (FILs). A series of ionic liquids (ILs) composed of 1-alkyl-3-methylimidazolium cations ([C(n)C(1)im] with n = 2, 4, 6, 8, 10, or 12) combined with the perfluorobutanesulfonate anion was us. 2016. Luis, Andreia; Shimizu, Karina; Araujo, Joao M. M.; Carvalho, Pedro J.; Lopes-da-Silva, Jose A.; Canongia Lopes, Jose N.; Rebelo, Luis Paulo N.; et al. http://hdl.handle.net/10773/20035.
    10.1021/acs.langmuir.6b00209
  3. The magic of aqueous solutions of ionic liquids: ionic liquids as a powerful class of catanionic hydrotropes. Hydrotropes are compounds able to enhance the solubility of hydrophobic substances in aqueous media and therefore are widely used in the formulation of drugs, cleaning and personal care products. In this work, it is shown that ionic liquids are a new class of powerful catanionic hydrotropes where both the cation and the anion synergistically contribute to increase the solubility of biomolecules in. 2015. Claudio, Ana Filipa M; Neves, Marcia C; Shimizu, Karina; Canongia Lopes, Jose N; Freire, Mara G; Coutinho, Joao A P; Claudio, Ana Filipa M.; et al. http://hdl.handle.net/10773/17681.
    10.1039/c5gc00712g
  4. Cation Alkyl Side Chain Length and Symmetry Effects on the Surface Tension of Ionic Liquids. Aiming at providing a comprehensive study of the influence of the cation symmetry and alkyl side chain length on the surface tension and surface organization of ionic liquids (ILs), this work addresses the experimental measurements of the surface tension of two extended series of ILs, namely R,R'-dialkylimidazolium bis-Rtrifluoromethyl)sulfonyllimide ([C(n)C(n)im][NTf2]) and R-alkyl-3-methylimidaz. 2014. Almeida, Hugo F. D.; Freire, Mara G.; Fernandes, Ana M.; Lopes-da-Silva, Jose A.; Morgado, Pedro; Shimizu, Karina; Filipe, Eduardo J. M.; et al. http://hdl.handle.net/10773/19337.
    10.1021/la501308q
  5. The effect of the cation alkyl chain branching on mutual solubilities with water and toxicities. The design of ionic liquids has been focused on the cation-anion combinations but other more subtle approaches can be used. In this work the effect of the branching of the cation alkyl chain on the design of ionic liquids (ILs) is evaluated. The mutual solubilities with water and toxicities of a series of bis(trifluoromethylsulfonyl)-based ILs, combined with imidazolium, pyridinium, pyrrolidinium,. 2014. Kurnia, Kiki A.; Sintra, Tania E.; Neves, Catarina M. S. S.; Shimizu, Karina; Canongia Lopes, Jose N.; Goncalves, Fernando; Ventura, Sonia P. M.; et al. http://hdl.handle.net/10773/19369.
    10.1039/c4cp02309a
  6. The impact of ionic liquid fluorinated moieties on their thermophysical properties and aqueous phase behaviour. In this work, we demonstrate that the presence of fluorinated alkyl chains in Ionic Liquids (ILs) is highly relevant in terms of their thermophysical properties and aqueous phase behaviour. We have measured and compared the density and viscosity of pure 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate, [C(2)C(1)im][FAP], with that of pure 1-ethyl-3-methylimidazolium hexafluorop. 2014. Neves, Catarina M. S. S.; Kurnia, Kiki A.; Shimizu, Karina; Marrucho, Isabel M.; Rebelo, Luis Paulo N.; Coutinho, Joao A. P.; Freire, Mara G.; Canongia Lopes, Jose N.. http://hdl.handle.net/10773/20699.
    10.1039/c4cp02008a
  7. Systematic Study of the Thermophysical Properties of Imidazolium-Based Ionic Liquids with Cyano-Functionalized Anions. In the past few years, ionic liquids (ILs) with cyano-functionalized anions have shown to be improved candidates for electrochemical and separation applications. Nevertheless, only scattered data exist hitherto and a broad analysis of their structure-property relationship has yet to be attempted. Therefore, in this work, a systematic study of the densities, viscosities and refractive indices of im. 2013. Neves, Catarina M. S. S.; Kurnia, Kild Adi; Coutinho, Joao A. P.; Marrucho, Isabel M.; Canongia Lopes, Jose N.; Freire, Mara G.; Rebelo, Luis Paulo N.. http://hdl.handle.net/10773/19752.
    10.1021/jp405913b
  8. Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations. The dissolution of uracil-a pyrimidine nucleic acid base-in the ionic liquid 1-ethyl-3-methylimidazolium acetate ([C(2)mim][CH3COO]) has been investigated by methods of H-1 and C-13 NMR spectroscopy, H-1-H-1 NOESY NMR spectroscopy, and quantum chemical calculations. The uracil-[C(2)mim][CH3COO] interactions that define the dissolution mechanism comprise the hydrogen bonds between the oxygen atoms. 2013. Araujo, Joao M. M.; Pereiro, Ana B.; Lopes, Jose N. Canongia; Rebelo, Luis P. N.; Marrucho, Isabel M.. http://hdl.handle.net/10773/21024.
    10.1021/jp400749j
  9. On the Formation of a Third, Nanostructured Domain in Ionic Liquids. The study of solid-fluid transitions in fluorinated ionic liquids using differential scanning calorimetry, rheology, and molecular modeling techniques is an essential step toward the understanding of their dynamics and the thermodynamics and the development of potential applications. Two fluorinated ionic liquids were studied: 1-hexyl- 3-methylimidazolium perfluorobutanesulfonate, HMIm(PFBu)SO3, a. 2013. Pereiro, Ana B.; Pastoriza-Gallego, M. J.; Shimizu, Karina; Marrucho, Isabel M.; Canongia Lopes, Jose N.; Pineiro, Manuel M.; Rebelo, Luis Paulo N.. http://hdl.handle.net/10773/20326.
    10.1021/jp402300c
  10. Volatility of Aprotic Ionic Liquids - A Review. Research on the volatility of aprotic ionic liquids is reviewed. This topic is limited to aprotic liquids since measurements have led to a generalization that this class of substances possesses extremely low vapor pressures. For research related to this topic, the period covered is 2003 to 2008. The review begins with a discussion of the earliest successful study of thermal vaporization of aprotic. 2010. Faculdade de Ciências. http://hdl.handle.net/10216/96288.
Activities

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2018 - Current Cátia Guarda — Caracterização de Grafenos com Superfície Modificada: da Mecânica de Compósitos a Aplicações em Catálise e Permeação, SFRH/BD/129589/2017, co-orientação de N. Silvestre, em curso (2018-)
2017 - Current Gonçalo Miguel Carvalho da Silva —Ionic Liquid - based Separations for Environmental Remediation of Fluorinated Pollutants: from Aqueous Biphasic Solvents to Membrane Permeation, SFRH/BD/123565/2016, co-orientação de E. J. M. Filipe, em curso (2017-)
2013 - Current Anabela J. L. Costa ¬— Ionic Liquids and Carbon Nanomaterials: Towards a systematic approach to sustainable chemistry and its environmental impacts, SFRH/BD/86284/2012, orientação de J. M. S. S. Esperança, em curso (2013-), 3 artigos publicados.
2008 - 2019 Carlos E. S. Bernardes — Estudos de Dinâmica Molecular aplicados à análise de Polimorfismo em Compostos Orgânicos, SFRH/BPD/43346/2008, e From Molecules to Crystals: an Experimental and Theoretical Study of the Formation of Crystals from Solution, SFRH/BPD/101505/2014 (em orientação com M. M. da Piedade), 4 triénios (2008-2011, 2011-2014, 2015-2017, 2018), 21 artigos publicados.
2013 - 2018 Ana I. M. F. C. Lobo Ferreira — Trend Shifts in Ionic Liquid Properties, SFRH/BPD/86887/2012, (em orientação com L. P. N. Rebelo e L. M. N. B. F. Santos), 2 triénios (2013-2015, 2016-2018), 1 artigo publicado.
2013 - 2018 Bruno M. S. Faria ¬— Estrutura e Propriedades de Nano-Agregados de Carbono e Líquidos Iónicos: das interacções ao comportamento mecânico, SFRH/BD/102023/2014, co-orientação de N. Silvestre, concluída (2014-2018), 7 artigos e 1 tese de doutoramento publicados.
2012 - 2018 Adilson Freitas — Modelação de Clínquer de Cimento e Novos Materiais de Baixo Teor de Cálcio, Industrial Contract adIST/CIMPOR Nanocement 2012/2015 (em orientação com R. Colaço e R. Bayão-Horta), 1 biénio (2012-2014), e Micellar ionic liquids as organized media, BPD SFRH/BPD/94299/2013, 2 triénios (2013-2016, 2016-2018), 7 artigos publicados.
2007 - 2018 Karina Shimizu — Análise estrutural de misturas de líquidos iónicos contendo compostos alifáticos e aromáticos, BPD SFRH/BPD/38339/2007 e Nanomateriais de Carbono e Líquidos Iónicos: do conhecimento fundamental a aplicações tecnológicas sustentáveis, BPD SFRH/BPD/94291/2013, 4 triénios (2007-2010, 2010-2013, 2013-2016, 2016-2018), 66 artigos publicados.
2013 - 2017 Fátima Moscoso Díaz ¬— Merging green chemistry and bioremediation: Towards the use of ionic liquids as bioavailability promoters of aromatic pollutants, SFRH/BPD/86887/2012, (em orientação com J. M. S. S. Esperança), 2 triénios (2013-2015, 2016-2017), 2 artigos publicados
2012 - 2017 Pedro J. R. Morgado — Nanoestruturação de Líquidos Iónicos Fluorados e Semifluorados – Espectroscopia de NMR de 129Xe e Simulação Molecular, SFRH/BPD/81748/2011 (em orientação com E. J. M. Filipe), 2 triénios (2012-2014, 2015-2017), 4 artigos publicados.
2013 - 2016 Rodrigo L. Santos — Desenvolvimento de novos paradigmas da produção de materiais cimentícios, Bolsa de Doutoramento CIMPOR, orientação de R. Bayão Horta, co-orientação de R. Colaço, concluída (2013-2016), 4 artigos e 1 tese de doutoramento publicados.
2014 - 2015 Marisa Pardal — Desenvolvimento de novos cimentos com política sustentável de baixo teor em Cálcio, Industrial Contract adIST/CIMPOR Nanocement 2012/2015, co-orientação de R. Colaço, concluído (2014-2015), 1 tese de mestrado publicada.
2007 - 2013 Mohammed Tariq — Polymer – ionic liquid solutions, SFRH/BPD/34146/2006 (em orientação com L. P. N. Rebelo), 2 triénios (2007-2010, 2010-2013), 17 artigos publicados.
2007 - 2013 Mara G. Freire — Ionic Liquid Surfactants and their Emulsions Formulation, SFRH/BPD/41781/2007 (em orientação com L. P. N. Rebelo), 2 triénios (2007-2010, 2010-2013), 11 artigos publicados.

Jury of academic degree

Topic
Role 		Candidate name (Type of degree)
Institution / Organization
2019 Vinay Shekhar Kandagal, Molecular Modelling Studies of an Organic Ionic Plastic Crystal for Gas Absorption and Electrolyte Applications, Provas de Doutoramento, Deakin University, Australia, 2019. Vinay Shekhar Kandagal (PhD)
2017 Alessio Ricobonno, Synthesis and Characterisation of New Azole Building Blocks for Functional Ionic Systems, Provas de Doutoramento*, Università degli Studi di Palermo, Itália, 2017. Alessio Ricobonno (PhD)
2017 Pablo Breogán Sánchez Vázquez, Thermophysical characterization of new absorbants based on ionic liquids for natural refrigerant, water, Provas de Doutoramento, International Doctoral School of the Universidade de Vigo, Espanha, 2017. Pablo Breogán Sánchez Vázquez (PhD)
2017 João Manuel Pedro Moisão França, Solid-liquid interactions in ionanofluids. Experiments and molecular simulation, Provas de Doutoramento*, Universities of Lisbon, Portugal and Clermont-Auverne, France, 2017. João Manuel Pedro Moisão França (PhD)
2017 Luís Maria Fabião de Campos Belchior, On the self-assembly of Perfluoroalkylalkanes: A Molecular Dynamics Simulation Study, Provas de Mestrado*, Instituto Superior Técnico da Univesidade de Lisboa e Imperial College, London, 2017 Luís Maria Fabião de Campos Belchior (Master)
2015 Marta Luísa Salsas Batista, A computational study of ionic liquids used in the production of fuels and biofuels, Provas de Doutoramento*, Departameto de Química da Universidade de Aveiro, 2015. Marta Luísa Salsas Batista (PhD)
2014 Joana Vitorino, Calorimetric and Mass Spectrosmtric Studies of Ionic Liquids, Provas de Doutoramento*, Faculdade de Ciências da Universidade de Lisboa, 2014. Joana Vitorino (PhD)
2014 José Restolho, Development of new techniques for the selective removal of volatile compounds with applications in forensic science and natural aromas. Provas de Doutoramento*, Faculdade de Farmácia da Universidade de Lisboa, 2014. José Restolho (PhD)
2012 Fátima Moscoso Diaz, Application of Bioremediation techniques for the removal of agroindustrial pollutants, Provas de Doutoramento*, Universidade de Vigo, Espanha, 2012. Fátima Moscoso Diaz (PhD)
2011 Nancy Martinez, Computer Simulation of Proton-Transfer Processes in Ionic Liquids, PhD External Examiner*, Queens Univerity Belfast, Reino Unido, 2011. Nancy Martinez (PhD)
2011 Nuno Miguel Ferreira Garrido, Prediction of Industrially Relevant Solvation and Partitioning Properties from Molecular Simulation, Provas de Doutoramento*, Faculdade de Engenharia da Universidade do Porto 2011. Nuno Miguel Ferreira Garrido (PhD)
2011 Natércia Brás, Optimização da Síntese Enzimática de Oligossacáridos, Provas de Doutoramento*, Faculdade de Ciências da Universidade do Porto, 2011. Natércia Brás (PhD)
2010 Nuno Agapito, Theoretical Study of the Reactivity and Energetics of Organic Radicals, Provas de Doutoramento*, Faculdade de Ciências da Universidade de Lisboa, 2010. Nuno Agapito (PhD)
2010 Pascale Husson, Provas de Habilitation à Diriger de Recherches*, Université Blaise Pascal II, École Doctorale des Sciences Fondamentales, Clermont-Ferrand, França, 2010. Pascale Husson (Other)
2007 Bruno Faria, Dimensionamento de um Instrumento para Medidas de Difusividade em Misturas Líquidas Binárias pelo Método de Dispersão de Taylor, Provas de Mestrado* (pré-Bolonha), IST/UTL, 2007. Bruno Faria (Master)
2006 Fernando Cruz, Aplicações Planetárias da Termodinâmica, Provas de Doutoramento, IST/UTL, 2006. Fernando Cruz (PhD)
2005 Pedro Paulo, Processos Foto-induzidos em Sistemas Não-covalentes Iónicos Porfirina- Dendrímero: Interacções Excitónicas e Transferência Electrónica, Provas de Doutoramento, IST/UTL, 2005. Pedro Paulo (PhD)
2005 Johnny Deschamps, Noveaux Solvants Propres: Étude Experimentale et par Simulation Moleculaire des Interactions en Solution, These pour Docteur Université*, Université Blaise Pascal II, École Doctorale des Sciences Fondamentales, Clermont-Ferrand, França, 2005. Johnny Deschamps (PhD)
2004 Ana Lúcia Lagoa, Estudos Termoquímicos de Haloácidos, Acetatos e Propionatos de Metais Alcalinos e Derivados Bis(ciclopentadienilo) de Metais de Transição, Provas de Doutoramento, IST/UTL, 2004. Ana Lúcia Lagoa (PhD)
2004 Zoran Visak, Liquid-Liquid Critical Loci in Heterogeneous Mixtures at Positive and Negative Pressures: Relation to Excess Properties of the Homogeneous Counterpart, Provas de Doutoramento*, ITQB/UNL, 2004. Zoran Visak (PhD)
2003 Helena Mota Veiga, Líquidos a Pressões Negativas: Correlações entre Propriedades de Equilíbrio e Propriedades em Regimes de Meta-Estabilidade, Provas de Doutoramento*, ITQB/UNL, 2003. Helena Mota Veiga (PhD)
2002 Lino Dias, Equilíbrio Líquido-Vapor de Sistemas Binários envolvendo Xenon, Hidrocarbonetos Leves e Compostos Fluorados, Provas de Doutoramento, IST/UTL, 2002. Lino Dias (PhD)
1998 Florbela Dias, A Termodinâmica dos Isótopos de Argon, Provas de Doutoramento*, Faculdade de Ciências e Tecnologia/UNL, 1998. Florbela Dias (PhD)
Distinctions

Award

2016 Scientific Award (Menção Honrosa) in the area of Chemistry, Chemical Engineering and Pharmaceutical Engineering
2008 Scientific Award (1º Prémio) in the area of Chemistry and Material Sciences)
2007 Scientific Award (Menção Honrosa) in the area of Chemistry and Biochemistry
1995 Research Stimulus Program Award
Fundação Calouste Gulbenkian, Portugal