Publications

Journal Article

Towards the development of nanosprings from confined carbyne chains
PHYSICA E-LOW-DIMENSIONAL SYSTEMS \& NANOSTRUCTURES, 117, 3 2020
Bruno Faria , Nuno Silvestre , Carlos E. S. Bernardes , José Nuno Canongia Lopes

Viscosity measurements of 1-ethyl-3-methylimidazolium trifluoromethanesulfonate (EMIM OTf) at high pressures using the vibrating wire technique
FLUID PHASE EQUILIBRIA, 505, 2 2020
Maria C. M. Sequeira , Helena Avelino , Fernando Caetano , João Fareleira

Supported ionic liquids as efficient materials to remove non-steroidal anti-inflammatory drugs from aqueous media
CHEMICAL ENGINEERING JOURNAL, 381, 2 2020
Hugo F. D. Almeida , Marcia C. Neves , Tito Trindade , Isabel Marrucho , Mara G. Freire

Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide-glyme systems: coordination in MD simulations with scaled charges
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22, 525-535 1 2020
Andreas Thum , Andreas Heuer , Karina Shimizu , José Nuno Canongia Lopes

C13-a new empirical force field to characterize the mechanical behavior of carbyne chains
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22, 758-771 1 2020
Bruno Faria , Carlos E. S. Bernardes , Nuno Silvestre , José Nuno Canongia Lopes

Solubility of water in n-alkanes: New experimental measurements and molecular dynamics simulations
FLUID PHASE EQUILIBRIA, 503, 1 2020
Pedro Morgado , João Barras , Pedro Duarte , Eduardo Filipe

Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21, 23305-23309 11 2019
Andreia S. L. Gouveia , Carlos E. S. Bernardes , Elena I. Lozinskaya , Alexander S. Shaplov , José Nuno Canongia Lopes , Isabel Marrucho

Surface Tension of DL-Menthol:Octanoic Acid Eutectic Mixtures
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 64, 4915-4923 11 2019
Ricardo J. Nunes , Benilde Saramago , Isabel M. Marrucho

Evidences for a Null Molar Volume Contribution by Hydroxyl Groups in Ammonium Bistriflimide-Based Ionic Liquids
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 64, 4932-4945 11 2019
Andre Mao de Ferro , Patricia M. Reis , Adilson A. Freitas , José Nuno Canongia Lopes , Luis Paulo N. Rebelo , Karina Shimizu , Jose M. S. S. Esperanca

Transferable, Polarizable Force Field for Ionic Liquids
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 15, 5858-5871 11 2019
Kateryna Goloviznina , José Nuno Canongia Lopes , Margarida Costa Gomes , Agilio A. H. Padua

Ground and excited state properties of furanoflavylium derivatives
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21, 21651-21662 10 2019
Alfonso Alejo-Armijo , Nuno Basilio , Adilson Alves de Freitas , Antonio L. Macanita , Joao C. Lima , A. Jorge Parola , Fernando Pina

Structure of Langmuir Monolayers of Perfluorinated Fatty Acids: Evidence of a New 2D Smectic C Phase
MOLECULES, 24, 10 2019
Philippe Fontaine , Eduardo Filipe , Marie-Claude Faure , Tomas Rego , Stephanie Tassler , Ana Carolina Alves , Goncalo M. C. Silva , Pedro Morgado , Michel Goldmann

Zooming in with QSPR on Friedel-Crafts acylation reactions over modified BEA zeolites
MOLECULAR CATALYSIS, 476, 10 2019
Odrigo Aleixo , R. Elvas-Leitão , F. Martins , Ana P. Carvalho , Amadeu Brigas , Ricardo Nunes , Auguste Fernandes , Joao Rocha , N. G. C. Nunes

Quantifying solvent effects through QSPR: A new look over different model equations
JOURNAL OF MOLECULAR LIQUIDS, 291, 10 2019
Luís Moreira , Marina Reis , R. Elvas-Leitão , Michael H. Abraham , F. Martins

Viscosity measurements of poly(ethyleneglycol) 400 [PEG 400] at temperatures from 293 K to 348 K and at pressures up to 50 MPa using the vibrating wire technique
FLUID PHASE EQUILIBRIA, 496, 7-16 9 2019
Maria C. M. Sequeira , Marta F. V. Pereira , Helena Avelino , Fernando J. P. Caetano , Joao M. N. A. Fareleira

Hydrophobic Deep Eutectic Solvents: A Circular Approach to Purify Water Contaminated with Ciprofloxacin
ACS SUSTAINABLE CHEMISTRY \& ENGINEERING, 7, 14739-14746 9 2019
Catarina Florindo , Francine Lima , Luis C. Branco , Isabel Marrucho

Energetics of Glycine Cocrystal or Salt Formation with Two Regioisomers: Fumaric Acid and Maleic Acid
CRYSTAL GROWTH \& DESIGN, 19, 5054-5064 9 2019
Antonio O. L. Evora , Carlos E. S. Bernardes , M. Fatima M. Piedade , António C. L. Conceição , Manuel E. Minas da Piedade

Tribological Behavior of Restorative Dental Microcomposites After Exposure to Mouth Acids
TRIBOLOGY LETTERS, 67, 9 2019
A. C. Branco , J. Brito , M. Codorniz , M. Steinhausen , F. Martins , J. Reis , P. Mauricio , Rogério Colaço , A. P. Serro

Poly(ionic liquid)-based engineered mixed matrix membranes for CO2/H-2 separation
SEPARATION AND PURIFICATION TECHNOLOGY, 222, 168-176 9 2019
Ana R. Nabais , Ana P. S. Martins , Vitor D. Alves , Joao G. Crespo , Isabel Marrucho , Liliana Tomé , Luisa A. Neves

Surface crystallization of ionic liquid crystals
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21, 17792-17800 8 2019
Monia A. R. Martins , Pedro J. Carvalho , Douglas Alves , Claudio Dariva , Mariana C. Costa , Rute A. S. Ferreira , P. S. Andre , Pedro Morgado , Simao P. Pinho , Eduardo Filipe , Joao A. P. Coutinho

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