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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
2021/01/01 - 2025/12/31 Instituto de Ciências Moleculares
LA/P/0056/2020
10.54499/LA/P/0056/2020
Universidade de Coimbra Centro de Investigação em Antropologia e Saúde, Portugal

Universidade do Porto Faculdade de Ciências, Portugal

Universidade de Coimbra, Portugal

Universidade do Porto Centro de Investigação em Química, Portugal

Universidade de Lisboa Centro de Química Estrutural, Portugal

Universidade de Lisboa Faculdade de Ciências, Portugal

Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal
 Fundação para a Ciência e a Tecnologia
Ongoing
2019 - 2022/01/31 ENERGIL-Sustainable Transportation Systems: Energy Harvesting and Storage using Ionic Liquids
SAICT-45-2017-02
Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal
 Fundação para a Ciência e a Tecnologia
Ongoing
2018 - 2021 Sustainable Transportation Systems: Energy Harvesting and Storage using Ionic Liquids
Lisboa/01/0145/FEDER/028367
Universidade de Lisboa Centro de Química Estrutural, Portugal
Concluded
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
2012/01/01 - 2015/04/30 Ionic Liquids as Promoters of Aqueous Biphasic Systems: The Role of van der Waals and Coulomb Interactions
PTDC/QUI-QUI/121520/2010
Provided by PTCRIS: 121520
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal

Universidade de Aveiro, Portugal

Universidade de Aveiro CICECO, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
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
2011/03/01 - 2014/08/31 Playing with the ionic character of ionic liquids
PTDC/EQU-FTT/116015/2009
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2008 - 2014 Petroleum-derived hydrocarbons in ionic liquids
IBET
Principal investigator
2011/01/01 - 2013/12/31 Projecto Estratégico - UI 4013 - 2011-2012
PEst-OE/SAU/UI4013/2011
PEst-OE/EQB/LA0004/2011
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal

Centro de Investigação de Recursos Naturais Ambiente e Sociedade, Portugal

Universidade de Trás-os-Montes e Alto Douro Centro de Investigação e de Tecnologias Agro-Ambientais e Biologicas, Portugal

Instituto de Biologia Experimental e Tecnológica, Portugal

Universidade Nova de Lisboa Medical School, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2010 - 2013 Modelling and Analysis of Nanostructures: Carbon Nanotubes and Nanocomposite Materials
PTDC/ECM/103490/2008
Researcher
2011/01/01 - 2012/12/31 Projecto Estratégico - UI 100 - 2011-2012
PEst-OE/QUI/UI0100/2011
Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
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 - 2009 Modelação da Energética e Estrutura de Metalocenos no Estado Sólido
POCI/QUI/56880/2004
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal

Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Universidade de Lisboa Instituto Superior Técnico, Portugal

Universidade de Lisboa Centro de Química Estrutural, Portugal
 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
2006/09/15 - 2007/04/30 Caracterização Termodinâmica e Estrutural de Líquidos Iónicos e outros Fluidos Associados
POCI/QUI/57716/2004
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal

Universidade de Lisboa Centro de Química Estrutural, Portugal

Universidade de Lisboa Instituto Superior Técnico, Portugal
 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

Other

Designation Funders
2013/04/01 - 2016/09/30 Carbon Nanomaterials and Ionic Liquids; From fundamentals to sustainable technology applications.
FCT-ANR/CTM-NAN/0135/2012
Provided by PTCRIS: 124806
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal

Universidade de Lisboa Centro de Química Estrutural, Portugal

Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2012/03/01 - 2015/08/31 Ionic Liquids under tension
PTDC/QUI-QUI/117340/2010
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal

Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2012/03/01 - 2015/08/31 On the thermophysical characterization of new room temperature ionic liquids.
PTDC/CTM-NAN/121274/2010
Provided by PTCRIS: 121274
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica António Xavier, Portugal

Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
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 abstract
  1. Faria, B.; Nuno Silvestre; Canongia Lopes, Jose Nuno; Carlos E. S. Bernardes. "Mechanical Behavior of Confined Carbyne Chains". Paper presented in 1st International Conference on Computations for Science and Enginnering, Porto, 2021.
    Accepted
  2. Faria, B.; Nuno Silvestre; Canongia Lopes, JN; Karina Shimizu; Carlos E. S. Bernardes. "Interaction between carbon nanotubes and ionic liquids". Paper presented in Congress on Numerical Methods in Engineering, Lisbon, 2015.
    Published
  3. Faria, B.; Nuno Silvestre; Canongia Lopes, JN. "Non-Linear Behaviour of Nanotubes under Coupled Bending-Twisting". Paper presented in Congress on Numerical Methods in Engineering, Lisbon, 2015.
    Published
  4. Faria, B.; Nuno Silvestre; Canongia Lopes, JN. "Mechanical Properties of Metallic Nanocomposites reinforced by carbon nanotubes". Paper presented in 1st Luso-Brazilian Encounter on Composite Engineering, Porto, 2014.
    Published
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.
Conference poster
  1. Maria, Catarina; Nuno M. Xavier; Shimizu, Karina; Freitas, Adilson A.; de Candia, Modesto; Cosimo D. Altomare; Colabufo, Nicola; Canongia Lopes, JN; Amélia Rauter. Corresponding author: Maria, Catarina. "New Purine Nucleosides as Cholinesterase Inhibitors and Metal Chelators Against Alzheimer's Disease". Paper presented in 7th Iberian Carbohydrate Meeting, 2024.
  2. Marques, H. S.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. "Solubility of Greenhouse Gases in [C8C1im][NTf2] Ionic Liquid by Molecular Dynamics". Paper presented in CQE Days 2024, 2024.
  3. Sousa da Silva, C. I.; Canongia Lopes, JN; Shimizu, K; Freitas, Adilson A.. Corresponding author: Sousa da Silva, C. I.. "Lithium-ion diffusion in highly concentrated sulfone-based liquid electrolytes". Paper presented in CQE Days 2024, 2024.
  4. Carvalho, T. T.; Canongia Lopes, JN; Shimizu, K; Freitas, Adilson A.. Corresponding author: Carvalho, T. T.. "Zwitterionic liquids derived from structural patterns of room-temperature ionic liquids". Paper presented in CQE Days 2024, 2024.
  5. Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, K. Corresponding author: Shimizu, K. "Exploring Structural Heterogeneities in Ionic Liquids: Insights from Molecular Dynamics Simulations". Paper presented in ACS Spring 2024 Meeting, 2024.
  6. Freitas, Adilson A.; Shimizu, K; Canongia Lopes, JN. Corresponding author: Freitas, Adilson A.. "Nanostructure organization in mixtures of a choline-based ionic liquid with alpha,beta- and alpha,omega-diols". Paper presented in ACS Spring 2024 Meeting, 2024.
  7. Carvalho, T. T.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. Corresponding author: Shimizu, K. "Zwitterionic liquids derived from structural motifs of ionic liquids". Paper presented in Dense Ionic Fluids, Faraday Discussions, 2024, 2024.
  8. Sousa da Silva, C. I.; Canongia Lopes, JN; Shimizu, K; Freitas, Adilson A.. Corresponding author: Freitas, Adilson A.. "Ionic networks of Lithium Cations in Dense Electrolytes". Paper presented in Dense Ionic Fluids, Faraday Discussions, 2024, 2024.
  9. Marques, H. S.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. Corresponding author: Marques, H. S.. "A robust method for property prediction via artificial neural networks: Incorporating key structural features for carbon dioxide-ionic liquid mixtures". Paper presented in 16th National Physical Chemistry Meeting & 5th Computational Chemistry Symposium, 2024.
  10. Carvalho, T. T.; Canongia Lopes, JN; Shimizu, K; Freitas, Adilson A.. Corresponding author: Freitas, Adilson A.. "Molecular dynamics simulations of zwitterions derived from structural motifs found in ionic liquids". Paper presented in Gordon Research Conference on Ionic Liquids, 2024.
  11. Morandeira, Lois; Gutiérrez-Arnillas, E.; Sanromán, M. Á.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. "Protonation of Amino Acid and Peptide-Based Ionic Liquids in Aqueous Systems". Paper presented in 7th Iberoamerican Meeting on Ionic Liquids (IMIL), 2024.
  12. Morandeira, Lois; Sanromán, M. Á.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, K. Corresponding author: Morandeira, Lois. "Detail examination of novel biocompatible solvents based on peptide anions: a Molecular Dynamics approach for both bulk and aqueous binary systems". Paper presented in 7th Iberoamerican Meeting on Ionic Liquids (IMIL), 2024.
  13. Shimizu, K; Freitas, Adilson A.; Canongia Lopes, JN. Corresponding author: Canongia Lopes, JN. "Ionic Liquids for energy applications". Paper presented in 7th Iberoamerican Meeting on Ionic Liquids (IMIL), 2024.
  14. Marques, H. S.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. "Solubility of Greenhouse Gases in Ionic Liquids by Molecular Dynamics". Paper presented in 7th Iberoamerican Meeting on Ionic Liquids (IMIL), 2024.
  15. Afonso, J. N. D.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. Corresponding author: Shimizu, K. "Exploring the Interface between Metal Organic Frameworks and Ionic Liquids through Molecular Dynamics Simulations". Paper presented in Molten Salts and Ionic Liquids Discussion Group Christmas Research Meeting 2023, 2023.
  16. Freitas, Adilson A.; Watanabe, M.; Shimizu, K; Canongia Lopes, JN. Corresponding author: Freitas, Adilson A.. "Molecular Dynamics Simulations of Lithium-ion Mobility in Concentrated Sulfolane-LiBF4 Mixtures". Paper presented in Molten Salts and Ionic Liquids Discussion Group Christmas Research Meeting 2023, 2023.
  17. Maria, Catarina; Barros, João; Nuno M. Xavier; Shimizu, Karina; Freitas, Adilson A.; Mª João Ferreira; Mª Conceição Oliveira; et al. Corresponding author: Maria, Catarina. "New purine nucleosides as potential chelating and anticholinesterase agents for Alzheimer's disease". Paper presented in GLUPOR 14, 2023.
  18. Marques, H. S.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. "Solubility of CO2 in Ionic Liquids by Molecular Dynamics". Paper presented in CQE Days 2023, 2023.
  19. Shimizu, K; Canongia Lopes, JN; Freitas, Adilson A.. "Kohlrausch–Williams–Watts Relaxation in Concentrated Sulfolane-LiBF4 Mixtures". Paper presented in CQE Days 2023, 2023.
  20. Freitas, Adilson A.; Shimizu, K; Canongia Lopes, JN. Corresponding author: Freitas, Adilson A.. "Diffusion of Lithium Cations in Concentraded Sulfolane-Based Liquid Electrolytes". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  21. Marques, H. S.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, K. "Solubility of Greenhouse Gases in Ionic Liquids". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  22. Morandeira, Lois; Sanromán, M. Á.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, K. "Aggregation Behavior of Aqueous Mixtures of Biocompatible Choline Amino Acid Ionic Liquids". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  23. Shimizu, K; Afonso, J. N. D.; Freitas, Adilson A.; Canongia Lopes, JN. "The Influence of Metal-Organic Frameworks in the Structure of Ionic Liquids Near the Interface". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  24. Maria, C.; Barros, J.; Xavier, N. M.; Shimizu, K; Freitas, Adilson A.; Ferreira, M. J.; Schino, I.; et al. Corresponding author: Maria, C.. "Synthesis of New Purine Nucleosides as Potential Metal Chelators and Anticholinesterase Agents". Paper presented in 8th International Electronic Conference on Medicinal Chemistry (ECMC 2022), 2022.
  25. Maria, C.; Barros, J.; Xavier, N. M.; Shimizu, K; Freitas, Adilson A.; Ferreira, M. J.; Oliveira, M. C.; et al. Corresponding author: Maria, C.. "Synthesis of New Purine Nucleosides and Evaluation of Their Potential as Copper Chelators and Anticholinesterase". Paper presented in 8th EuChemS Chemistry Congress, 2022.
  26. Marques, H.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. "Nanostructure in 1-Alkyl-3-Methylimidazolium Cations Combined with Alkyl-Sulfonate Anions Homologous Series". Paper presented in 8th EuChemS Chemistry Congress, 2022.
  27. Morandeira, L.; Sanromán, M. Á.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, K. "A Molecular Dynamics Approach For Unveiling the Nanosegregation of Novel Biocompatible ILs and Their Aqueous Solutions". Paper presented in 8th EuChemS Chemistry Congress, 2022.
  28. Maria, C.; Barros, J.; Xavier, N. M.; Shimizu, K; Freitas, Adilson A.; Ferreira, M. J.; Schino, I.; et al. Corresponding author: Maria, C.. "Synthesis of Purine Nucleosides, Copper Chelation and Anticholineterase Activity". Paper presented in 30th International Carbohydrate Symposium (ICS2022), 2022.
  29. Maria, C.; Barros, J.; Xavier, N. M.; Shimizu, K; Freitas, Adilson A.; Ferreira, M. J.; Oliveira, M. C.; et al. Corresponding author: Maria, C.. "New Purine Nucleosides as Potential Copper Chelators and Cholinesterase Inhibitors". Paper presented in CQE Days, 2022, 2022.
  30. Marques, H.; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, K. "Nanostructure in 1-Alkyl-3-Methylimidazolium Cations Octyl-Sulfonate Ionic Liquid Homologous Series". Paper presented in CQE Days, 2022, 2022.
  31. Morandeira, L.; Sanromán, M. Á.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, K. Corresponding author: Morandeira, L.. "Initial Studies on Novel Biocompatible Solvents: ChPep From a Molecular Dynamics Perspective". Paper presented in CQE Days, 2022, 2022.
  32. Maria, C.; Barros, J.; Xavier, N. M.; Shimizu, K; Freitas, Adilson A.; Schino, I.; Cantore, M.; et al. Corresponding author: Maria, C.. "Synthesis of New Purine Nucleosides as Copper Chelators and Cholinesterase Inhibitors". Paper presented in 14th National Organic Chemistry Meeting, 2022.
  33. Freitas, Adilson A.; Shimizu, Karina; Esperança, José M. S. S.; Rebelo, L. P.; Canongia Lopes, Jose Nuno. "Negative Pressure Regimes in Ionic Liquids". Paper presented in 5th ILMAT - International Conference on Ionic Liquid-Based Materials, 2019.
  34. Shimizu, Karina; Freitas, Adilson A.; Hisamitsu, S.; Yanai, N.; Kimizuka, N.; Canongia Lopes, Jose Nuno. "Ionic Liquids In Triplet-Triplet Annihilation". Paper presented in 5th ILMAT - International Conference on Ionic Liquid-Based Materials, 2019.
  35. Ana I. M. C. Lobo Ferreira; Carlos F. P. Miranda ; Canongia Lopes, JN; Luís P. N. Rebelo; Luís M. N. B. F. Santos. "Volatility Study of 1-Alkyl-3-methylimidazolium Tris(pentafluoroethyl) trifluorophosphate Ionic Liquids". Paper presented in ILMAT V | 5. International Conference on Ionic Liquid-based Materials, 2019.
  36. Freitas, Adilson A.; Shimizu, Karina; Esperança, José M. S. S.; Rebelo, L. P.; Canongia Lopes, Jose Nuno. "Negative Pressure Regimes in Ionic Liquids Studied by Molecular Dynamics Simulations". Paper presented in 8th Conference on Ionic Liquids, 2019.
  37. Shimizu, Karina; Freitas, Adilson A.; Hisamitsu, S.; Yanai, N.; Kimizuka, N.; Canongia Lopes, Jose Nuno. "Modelling Photon Harvesting on Ionic Liquids Systems". Paper presented in 8th Conference on Ionic Liquids, 2019.
  38. Shimizu, Karina; Freitas, Adilson A.; Gonçalves da Silva, A. M. P. S.; Canongia Lopes, Jose Nuno. "Interaction Between Ionic Liquids and Cationic Surfactants at the Water-Air Interface". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, 2018.
  39. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Air-Water Interface Evolution in Mixtures of Ionic Liquids and Cationic Surfactants Investigated by Molecular Dynamics Simulations". Paper presented in Joint Conference of EMLG/JMLG Annual Meeting, 2018.
  40. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Molecular dynamics studies of aromatic and alifatic moieties in charge-inverted ionic liquids.". Paper presented in EMLG/JMLG Annual Meeting 2018 and 41st Symposium on Solution Chemistry of Japan, 2018.
  41. Mão de Ferro, A.; Reis, P.; Soromenho, Mário; Bernardes, C. E. S.; Shimizu, Karina; Freitas, Adilson A.; Esperança, José M. S. S.; Canongia Lopes, Jose Nuno; Rebelo, L. P.. "Hydrophilic Bistriflimide-based Ionic Liquids". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, 2018.
  42. Freitas, Adilson A.; Shimizu, Karina; Gonçalves da Silva, A. M. P. S.; Canongia Lopes, Jose Nuno. "Behavior of Ionic Liquid and Cationic Surfactant Mixtures at the Water-Air Interface". Paper presented in Gordon Research Conference on Ionic Liquids, 2018.
  43. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Ionic liquid and Surfactant Mixture Films at the water-air interface". Paper presented in 20th Symposium On Thermophysical Properties, 2018.
  44. Ana I. M. C. Lobo Ferreira; Carlos F. P. Miranda ; Canongia Lopes, JN; Luís P. N. Rebelo; Luís M. N. B. F. Santos. "Volatility Study of 1-Alkylpyridinium NTf2 Series". Paper presented in ILMAT IV | 4. International Conference on Ionic Liquid-based Materials, 2017.
  45. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Effect of Water on Nanoconfinement of Ionic Liquids Studied by Molecular Dynamics Simulations". Paper presented in Faraday Discussion on Ionic Liquids: From Fundamental Properties to Practical Applications, 2017.
  46. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. "A Short Overview of the Interface of Ionic Liquids". Paper presented in Faraday Discussion on Ionic Liquids: From Fundamental Properties to Practical Applications, 2017.
  47. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Molecular Dynamics Study of a Nanoconfined Pyrrolidinium-Based Ionic Liquid". Paper presented in Thermodynamics 2017, 2017.
  48. Shimizu, Karina; Freitas, Adilson A.; Cabry, C. P.; Bruce, D. W.; Slattery, J. M.; Canongia Lopes, Jose Nuno. "Nanosegregation and Structuring of Ionic Liquids and Their Mixtures Probed by Molecular Dynamics Simulation". Paper presented in 3rd EuCheMS Congress on Green and Sustainable Chemistry, 2017.
  49. Shimizu, Karina; Freitas, Adilson A.; Cabry, C. P.; Bruce, D. W.; Slattery, J. M.; Canongia Lopes, Jose Nuno. "Ionic Liquids as Reaction Media and as a Solvent Studied by Molecular Dynamics Simulation". Paper presented in 3rd EuCheMS Congress on Green and Sustainable Chemistry, 2017.
  50. Ana I. M. C. Lobo Ferreira; Carlos F. P. Miranda ; Canongia Lopes, JN; Luís P. N. Rebelo; Luís M. N. B. F. Santos. "Volatility of 1-Alkylpyridinium NTf2 Series". Paper presented in ECTP 2017 | European Conference on Thermophysical Properties, 2017.
  51. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. "Modeling of Triplet-Triplet Annihilation on Ionic Liquid Systems". Paper presented in 28th International Conference on Photochemistry, 2017.
  52. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. "Complex Properties of Ionic Liquids Probed by Molecular Dynamics". Paper presented in 26th EUCHEM Conference on Molten Salts and Ionic Liquids, 2016.
  53. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. "Properties of Ionic Liquids Studied by Molecular Dynamics". Paper presented in XII Encontro Nacional de Química-Física, 2016.
  54. Shimizu, Karina; Freitas, Adilson A.; Hisamitsu, S.; Yanai, N.; Kimizuka, N.; Canongia Lopes, Jose Nuno. "Ionic Liquids in Photon Harvesting". Paper presented in XXVIth IUPAC Symposium on Photochemistry, 2016.
  55. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. "The nano-scale segregation of ionic liquids probed by molecular dynamics simulation". Paper presented in Molten Salts Discussion Group, MSDG Christmas 2016 Research Meeting, 2016.
  56. Shimizu, K; Freitas, Adilson A.; Canongia Lopes, JN. "Between a Rock and Hard Place: The Structure of 2D-Constrained Ionic Liquids". Paper presented in 26th EUCHEM Conference on Molten Salts and Ionic Liquids, 2016.
  57. Shimizu, Karina; Freitas, Adilson A.; Bernardes, C. E. S.; Pereira, C. S.; Hartmann, D.O.; Canongia Lopes, Jose Nuno. "The Complex Structure of Ionic Liquids Probed by Molecular Dynamics Simulation". Paper presented in 19th Symposium on Thermophysical Properties, 2015.
  58. Mão de Ferro, A.; Reis, P.M.; Costa, A.J.L.; Bernardes, Carlos; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Understanding The Interactions Between Ammonium-Based Bistriflamide Ionic Liquids and Molecular Solvents.". Paper presented in 41st Conference on Phase Equilibria - XLIèmes Journées d’Étude des Équilibres entre Phases, 2015.
  59. Morgado, P.; Shimizu, Karina; Lobo Ferreira, A.I.M.C.; Santos, L.M.N.B.; Canongia Lopes, Jose Nuno; Coutinho, Joao A. P.; Filipe, E.J.M.. "Probing the Structure of Ionic (and Non Ionic) Liquids with 129Xe NMR Spectroscopy.". Paper presented in 20th European Conference on the Thermophysical Properties (ECTP), 2014.
  60. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Nanostructural Organization in Protic Ionic Liquids Probed by Molecular Dynamics Simulations". Paper presented in Molten Salts Discussion Group Christmas Research Meeting, 2013.
  61. Freire, M.G.; Neves, C.M.S.S.; Schröder, B.; Shimizu, Karina; Santos, L.M.N.B.; Coutinho, Joao A. P.; Marrucho, I.M.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Binary mixtures of ionic liquids in aqueous solution: toward an understanding of their salting-in/salting-out phenomena.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  62. Shimizu, Karina; Bernardes, Carlos; Freire, M.G.; Marrucho, I.M.; Coutinho, Joao A. P.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Salting-In/Salting-Out Phenomena in Ionic Liquids: Molecular Dynamics Studies.". Paper presented in 4th International Congress on Ionic Liquids (COIL-4), 2011.
  63. Freire, M.G.; Neves, C.M.S.S.; Shimizu, Karina; Bernardes, Carlos; Marrucho, I.M.; Coutinho, Joao A. P.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.. "Liquid-liquid Equilibria between Water and Selective Isomers of Pyridinium-based Ionic Liquids.". Paper presented in EUCHEM Conference on Molten Salts and Ionic Liquids, 2010.
  64. Rui Ferreira; Marijana Blesic; J.R.Trindade; I.M. Marrucho; Canongia Lopes, Jose Nuno; L.P.N. Rebelo. "Mutual Solubility of Fluorinated Compounds and Ionic Liquids". 2009.
  65. Pereiro, Ana B.; Rodríguez, A.; Esperança, J.M.S.S.; Canongia Lopes, JN; Rebelo, L.P.N.. "Liquid-liquid equilibria of quasi-ideal mixtures of ionic liquids with common organic solvents". Paper presented in 1st Iberian Meeting on Ionic Liquids, 2009.
  66. Rui Ferreira; M. Blesic; Trindade, Joana; I.M. Marrucho; Canongia Lopes, Jose Nuno; L.P.N. Rebelo. "Solubility of Fluorinated Compounds in ionic Liquids". Paper presented in 236th ACS National Meeting, Philadelphia, PA, USA, 2008.
  67. Z. P. Visak; A. Rodríguez; Pereiro, Ana B.; Canongia Lopes, JN; Luís P. N. Rebelo. "Pyridine and nicotine as solvents for ionic liquids with related cationic structure". Paper presented in 236th ACS National Meeting, 2008.
  68. Trindade, Joana; Esperança, José M. S. S.; Z.P. Vizak; M. Blesic; I.M. Marrucho; Coutinho, Joao A. P.; Canongia Lopes, Jose Nuno; L.P.N. Rebelo. "Salting-out effects in aqueous solutions of [bmin][BF4] and [emin][ETSO4]". Paper presented in Euchem Conference on Molten Salts and Ionic Liquids, 2006.
  69. Zoran Visak; Trindade, Joana; M. Blesic; Isabel Maria Marrucho; Coutinho, Joao A. P.; Canongia Lopes, Jose Nuno; Luis Paulo Rebelo; et al. "Salting-out effects in aqueous solutions of [bmin][BF4]". Paper presented in 19th International Conference of Chemical Thermodynamics, Boulder, Colorado USA, 2006.
Journal article
  1. Lois Morandeira; Angeles Sanromán; Adilson Alves de Freitas; José N. Canongia Lopes; Karina Shimizu. "Understanding and optimizing the structure of novel peptide-based ionic liquids: Water as modulating agent". The Journal of Chemical Physics (2026): https://doi.org/10.1063/5.0308386.
    10.1063/5.0308386
  2. J. Barclay; J. M. Williamson; H. Litt; S. J. Cowling; K. Shimizu; A. A. Freitas; S. Poppe; et al. "State-independent ionic conductivity". Science 390 (2025): 1254-1258.
    Open access • 10.1126/science.adk0786
  3. Lois Morandeira; Angeles Sanromán; Adilson Alves de Freitas; José N. Canongia Lopes; Karina Shimizu. "Depicting a neoteric family of biocompatible ionic liquids: A look through a molecular dynamics prism". The Journal of Chemical Physics (2025): https://doi.org/10.1063/5.0263801.
    10.1063/5.0263801
  4. Hugo Marques; José N. Canongia Lopes; Adilson Alves de Freitas; Karina Shimizu; Pedro S. F. Mendes. "Robust Method for Property Prediction via Artificial Neural Networks: Incorporating Key Structural Features for Carbon Dioxide–Ionic Liquid Mixtures". The Journal of Physical Chemistry B (2025): https://doi.org/10.1021/acs.jpcb.4c04432.
    10.1021/acs.jpcb.4c04432
  5. Joshua Lai; Evelyn F. Gladden-Bennett; Karina Shimizu; Naomi S. Elstone; Theo F. N. Tanner; Bruno Demé; Adrian C. Whitwood; et al. "To mix or not to mix: charge and polarity effects on alkyl/fluoroalkyl compound miscibility". Physical Chemistry Chemical Physics (2025): https://doi.org/10.1039/D5CP01737H.
    10.1039/D5CP01737H
  6. Lois Morandeira; Tiago F. C. Cruz; Pedro T. Gomes; José N. Canongia Lopes; Karina Shimizu. "Rational design of halo-imidazolium-based ionic liquids: tailoring the charge distribution to mimic the structure of real charge inverted analogues". Physical Chemistry Chemical Physics (2025): https://doi.org/10.1039/D5CP01061F.
    10.1039/D5CP01061F
  7. Tom Frömbgen; José Nuno Canongia Lopes; Barbara Kirchner; Karina Shimizu. "Unraveling the Morphology of [CnC1Im]Cl Ionic Liquids Combining Cluster and Aggregation Analyses". The Journal of Physical Chemistry B (2024): https://doi.org/10.1021/acs.jpcb.3c08317.
    10.1021/acs.jpcb.3c08317
  8. Donato, M. T.; Colaço, Rogério; Branco, Luis; Saramago, Benilde; Canongia Lopes, JN; Shimizu, K; Freitas, Adilson A.. Corresponding author: Freitas, Adilson A.. "Molecular Interactions Between Ionic Liquid Lubricants and Silica Surface: A MD Simulation Study". J. Phys. Chem. B (2024): https://doi.org/10.1021/acs.jpcb.3c08397.
    Accepted • 10.1021/acs.jpcb.3c08397
  9. Shimizu, Karina; Watanabe, Masayoshi; Canongia Lopes, JN; Freitas, Adilson A.. Corresponding author: Shimizu, Karina. "The heterogeneous nature of the lithium-ion diffusion in highly concentrated sulfolane-based liquid electrolytes". Journal of Molecular Liquids 382 (2023): 121983. http://dx.doi.org/10.1016/j.molliq.2023.121983.
    Published • 10.1016/j.molliq.2023.121983
  10. Freitas, Adilson A.; Gonçalves da Silva, Amélia M.P.S.; Canongia Lopes, JN; Shimizu, Karina. Corresponding author: Shimizu, Karina. "Molecular origins of nonideality in surface properties of Surfactant-Ionic liquid mixed monolayers". Journal of Molecular Liquids 382 (2023): 121984. http://dx.doi.org/10.1016/j.molliq.2023.121984.
    Published • 10.1016/j.molliq.2023.121984
  11. Marques, Hugo; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, Karina. Corresponding author: Freitas, Adilson A.. "The Nanostructure of Alkyl-Sulfonate Ionic Liquids: Two 1-Alkyl-3-methylimidazolium Alkyl-Sulfonate Homologous Series". Molecules 28 5 (2023): 2094. http://dx.doi.org/10.3390/molecules28052094.
    Published • 10.3390/molecules28052094
  12. Diogo Machacaz; Tiago M. Eusébio; Cátia Guarda; Gonçalo M. C. Silva; Pedro Morgado; Luís F. G. Martins; José N. A. Canongia Lopes; Eduardo J. M. Filipe. "Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations". Journal of Chemical & Engineering Data (2023): https://doi.org/10.1021/acs.jced.2c00410.
    10.1021/acs.jced.2c00410
  13. Schino, Ignazio; Cantore, Mariangela; de Candia, Modesto; Altomare, Cosimo D.; Maria, Catarina; Barros, João; Cachatra, Vasco; et al. "Exploring Mannosylpurines as Copper Chelators and Cholinesterase Inhibitors with Potential for Alzheimer’s Disease". Pharmaceuticals 16 1 (2022): 54. http://dx.doi.org/10.3390/ph16010054.
    Published • 10.3390/ph16010054
  14. Rodrigues, Rita F.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, Karina. Corresponding author: Freitas, Adilson A.. "Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity". Molecules 26 23 (2021): 7159. http://dx.doi.org/10.3390/molecules26237159.
    Published • 10.3390/molecules26237159
  15. 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
  16. Carrera, Gonçalo V. S. M.; Inês, João; Bernardes, Carlos E. S.; Klimenko, Kyrylo; Shimizu, Karina; Canongia Lopes, JN. "The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach". ChemPhysChem 22 21 (2021): 2190-2200. http://dx.doi.org/10.1002/cphc.202100632.
    Published • 10.1002/cphc.202100632
  17. Gallo-Molina, Juan Pablo; Freitas, Adilson A.; Canongia Lopes, JN; Nopens, Ingmar; Lesage, Karel. "Molecular dynamics simulations of effective interactions among clinker minerals in aqueous solution and the structure and dynamics of the interstitial water". Materials and Structures 54 3 (2021): 133. http://dx.doi.org/10.1617/s11527-021-01731-9.
    Published • 10.1617/s11527-021-01731-9
  18. 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
  19. 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
  20. 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
  21. Faria, B.; Nuno Silvestre; Canongia Lopes, JN; Cátia Guarda. "CNT-reinforced iron and titanium nanocomposites: Strength and deformation mechanisms". Composites Part B: Engineering 187 (2020): http://dx.doi.org/10.1016/j.compositesb.2020.107836.
    10.1016/j.compositesb.2020.107836
  22. Faria, Bruno; Silvestre, Nuno; Bernardes, Carlos; Canongia Lopes, JN. "Towards the development of nanosprings from confined carbyne chains". Physica E: Low-dimensional Systems and Nanostructures 117 (2020): http://dx.doi.org/10.1016/j.physe.2019.113831.
    Published • 10.1016/j.physe.2019.113831
  23. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Bio-inspired hydrophilic bistriflimide-based ionic liquids: Molecular dynamics modeling and simulations". Journal of Molecular Liquids 301 (2020): 112402. http://dx.doi.org/10.1016/j.molliq.2019.112402.
    Published • 10.1016/j.molliq.2019.112402
  24. Faria, Bruno; Silvestre, Nuno; Canongia Lopes, JN. "Strength and fracture of graphyne and graphdiyne nanotubes". Computational Materials Science 171 (2020): http://dx.doi.org/10.1016/j.commatsci.2019.109233.
    Published • 10.1016/j.commatsci.2019.109233
  25. 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
  26. 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
  27. 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
  28. 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
  29. 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
  30. 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
  31. 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
  32. 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
  33. Freitas, Adilson A.; Shimizu, Karina; Smith, Alexander M.; Perkin, Susan; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Structure and dynamics of mica-confined films of [C<sub>10</sub>C<sub>1</sub>Pyrr][NTf<sub>2</sub>] ionic liquid". The Journal of Chemical Physics 148 19 (2018): 193808. http://dx.doi.org/10.1063/1.5007809.
    Published • 10.1063/1.5007809
  34. Shimizu, Karina; Heller, Bettina S. J.; Maier, Florian; Steinrück, Hans-Peter; Canongia Lopes, JN. "Probing the Surface Tension of Ionic Liquids Using the Langmuir Principle". Langmuir 34 14 (2018): 4408-4416. http://dx.doi.org/10.1021/acs.langmuir.7b04237.
    Published • 10.1021/acs.langmuir.7b04237
  35. 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
  36. 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
  37. 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
  38. 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
  39. 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
  40. 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
  41. 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
  42. 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
  43. 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
  44. 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
  45. Bruce, Duncan W.; Cabry, Christopher P.; Canongia Lopes, JN; Costen, Matthew L.; D’Andrea, Lucía; Grillo, Isabelle; Marshall, Brooks C.; et al. "Nanosegregation and Structuring in the Bulk and at the Surface of Ionic-Liquid Mixtures". The Journal of Physical Chemistry B 121 24 (2017): 6002-6020. http://dx.doi.org/10.1021/acs.jpcb.7b01654.
    Published • 10.1021/acs.jpcb.7b01654
  46. Shimizu, K.; Freitas, A.A.; Canongia Lopes, J.N.. "Structural characterization of the [C<inf>n</inf>C<inf>1</inf>im][C<inf>4</inf>F<inf>9</inf>SO<inf>3</inf>] 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
  47. 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
  48. 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
  49. 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
  50. 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
  51. 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
  52. 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
  53. 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
  54. 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
  55. 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
  56. 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
  57. 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
  58. 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 &lt; CaO/SiO2 &lt; 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
  59. 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
  60. 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
  61. 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
  62. 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
  63. 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
  64. 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
  65. 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
  66. 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
  67. 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
  68. 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
  69. 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
  70. 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
  71. 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
  72. 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
  73. 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
  74. 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
  75. 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
  76. 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
  77. 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.
  78. 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.
  79. 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
  80. 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
  81. 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
  82. 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
  83. 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
  84. 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
  85. 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
  86. 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
  87. 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
  88. 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
  89. 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
  90. 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
  91. 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
  92. 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
  93. 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
  94. 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
  95. 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
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  164. 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.
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  200. 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.
  201. 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
  202. 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
  203. 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
  204. 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
  205. 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.
  206. 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.
  207. 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
  208. 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
  209. 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
  210. 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.
  211. 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.
  212. 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
  213. 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
  214. 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
  215. 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
  216. 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
  217. 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
  218. 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
  219. 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
  220. 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
  221. 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
  222. 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
  223. 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
  224. 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
  225. 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
  226. 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
  227. 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
  228. 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
  229. 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.
  230. Calado, J. C. G.; Jancso, G.; Lopes, J. N. C.; Marko, L.; Daponte, M. N.; Rebelo, L. P. N.; Staveley, L. A. K.; et al. "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
  231. Lopes, J. N. C.; Rebelo, L. P. N.; Jancso, G.; Lopes, J.N.C.; Rebelo, L.P.N.; Jancsó, 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
  232. Calado, J. C. G.; Lopes, J. N. C.; Rebelo, L. P. N.; 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
  233. 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
Preprint
  1. Lois Morandeira; Tiago F. C. Cruz; José M. S. S. Esperança; M. Ángeles Sanroman; Pedro T. Gomes; José N. Canongia Lopes; Karina Shimizu. "Charge Distribution-Driven Organization in Ionic Liquids". 2026. https://doi.org/10.2139/ssrn.6258113.
    10.2139/ssrn.6258113

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