| Solvation Structure and Dynamics of Li+ in Ternary Ionic Liquid–Lithium Salt Electrolytes Q Huang, TC Lourenco, LT Costa, Y Zhang, EJ Maginn, B Gurkan The Journal of Physical Chemistry B 123 (2), 516-527, 2018 | 80 | 2018 |
| Insights on the Solubility of CO2 in 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide from the Microscopic Point of View TC Lourenço, MFC Coelho, TC Ramalho, D van der Spoel, LT Costa Environmental science & technology 47 (13), 7421-7429, 2013 | 71 | 2013 |
| A molecular dynamics study of lithium-containing aprotic heterocyclic ionic liquid electrolytes TC Lourenço, Y Zhang, LT Costa, EJ Maginn The Journal of chemical physics 148 (19), 2018 | 43 | 2018 |
| Theoretical Investigation of the Na+ Transport Mechanism and the Performance of Ionic Liquid-Based Electrolytes in Sodium-Ion Batteries TC Lourenco, LG Dias, JLF Da Silva ACS Applied Energy Materials 4 (5), 4444-4458, 2021 | 35 | 2021 |
| Interfacial structures in ionic liquid-based ternary electrolytes for lithium-metal batteries: a molecular dynamics study TC Lourenço, M Ebadi, D Brandell, JLF Da Silva, LT Costa The Journal of Physical Chemistry B 124 (43), 9648-9657, 2020 | 24 | 2020 |
| Understanding the Solubility of Acetaminophen in 1-n-Alkyl-3-methylimidazolium-Based Ionic Liquids Using Molecular Simulation AS Paluch, TC Lourenço, F Han, LT Costa The Journal of Physical Chemistry B 120 (13), 3360-3369, 2016 | 20 | 2016 |
| Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes TC Lourenço, LMS Barros, CG Anchieta, TCM Nepel, JPO Júlio, LG Dias, ... Journal of Materials Chemistry A 10 (21), 11684-11701, 2022 | 13 | 2022 |
| Molecular dynamics investigation of the structural and energetic properties of CeO 2–MO x (M= Gd, La, Ce, Zr) nanoparticles JPA De Mendonca, TC Lourenço, LPM Freitas, AAE Santo, GT Feliciano, ... Materials Advances 2 (23), 7759-7772, 2021 | 11 | 2021 |
| Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries J Fiates, RH Ratochinski, TC Lourenco, JLF Da Silva, LG Dias Journal of Molecular Liquids 369, 120919, 2023 | 10 | 2023 |
| Local environment structure and dynamics of CO2 in the 1-ethyl-3-methylimidazolium bis (trifluoromethanesulfonyl) imide and related ionic liquids TC Lourenço, S Aparicio, GC Costa, LT Costa The Journal of Chemical Physics 146 (10), 2017 | 9 | 2017 |
| Theoretical framework based on molecular dynamics and data mining analyses for the study of potential energy surfaces of finite-size particles JPA de Mendonca, FV Calderan, TC Lourenco, MG Quiles, JLF Da Silva Journal of Chemical Information and Modeling 62 (22), 5503-5512, 2022 | 8 | 2022 |
| Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid RM de Souza, TC Lourenco, LJA de Siqueira, M Karttunen, JLF Da Silva, ... Journal of Molecular Liquids 338, 116648, 2021 | 8 | 2021 |
| Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining AS Moraes, GA Pinheiro, TC Lourenço, MC Lopes, MG Quiles, LG Dias, ... Journal of Chemical Information and Modeling 62 (19), 4702-4712, 2022 | 7 | 2022 |
| A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid‐based electrolyte: Li+ transport mechanisms and ionic interactions T C Lourenço, M Ebadi, M J Panzer, D Brandell, L T Costa Journal of Computational Chemistry 42 (23), 1689-1703, 2021 | 6 | 2021 |
| Dielectric behavior of water in [bmim] [N] room-temperature ionic liquid: molecular dynamic study R Fuentes-Azcatl, GJC Araujo, TC Lourenço, CTOG Costa, JWM Carneiro, ... Theoretical Chemistry Accounts 140 (9), 125, 2021 | 6 | 2021 |
| Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force TC Lourenço, LJA Siqueira, LG Dias, JLF Da Silva Electrochimica Acta 468, 143149, 2023 | 3 | 2023 |
| The structure of CO2 and CH4 at the interface of a poly (urethane urea) oligomer model from the microscopic point of view FC Assis Silva, T da Costa Lourenço, D Van der Spoel, S Aparicio, ... The Journal of Chemical Physics 155 (4), 2021 | 3 | 2021 |
| Correction to Theoretical Investigation of the Na+ Transport Mechanism and the Performance of Ionic Liquid-Based Electrolytes in Sodium-Ion Batteries TC Lourenço, LG Dias, JLF Da Silva ACS Applied Energy Materials 5 (10), 13079-13080, 2022 | 2 | 2022 |
| Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites: Insights from Enhanced Sampling Molecular Dynamics and Free … LPM Freitas, AA Espirito Santo, TC Lourenco, JLF Da Silva, GT Feliciano Langmuir 37 (26), 8014-8023, 2021 | 2 | 2021 |
| Theoretical Investigation of the Na+ Transport Mechanism and Electrolyte Performance in Ionic Liquids Sodium-ion Electrolytes. ACS Appl TC Lourenço, LG Dias, JLF Da Silva Energy Mater, 2021 | 2 | 2021 |
