| Force field benchmark of organic liquids: density, enthalpy of vaporization, heat capacities, surface tension, isothermal compressibility, volumetric expansion coefficient, and … C Caleman, PJ Van Maaren, M Hong, JS Hub, LT Costa, D Van Der Spoel Journal of chemical theory and computation 8 (1), 61-74, 2012 | 817 | 2012 |
| Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations B Sun, J Mindemark, EV Morozov, LT Costa, M Bergman, P Johansson, ... Physical Chemistry Chemical Physics 18 (14), 9504-9513, 2016 | 158 | 2016 |
| Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening OV de Oliveira, GB Rocha, AS Paluch, LT Costa Journal of Biomolecular Structure and Dynamics 39 (11), 3924-3933, 2021 | 139 | 2021 |
| Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend LT Costa, B Sun, F Jeschull, D Brandell The Journal of chemical physics 143 (2), 2015 | 107 | 2015 |
| Molecular dynamics simulation of polymer electrolytes based on poly (ethylene oxide) and ionic liquids. I. Structural properties LT Costa, MCC Ribeiro The Journal of chemical physics 124 (18), 2006 | 96 | 2006 |
| A quantum chemistry study for ionic liquids applied to gas capture and separation GB Damas, ABA Dias, LT Costa The Journal of Physical Chemistry B 118 (30), 9046-9064, 2014 | 95 | 2014 |
| 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 | 86 | 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 | 73 | 2013 |
| Modelling the polymer electrolyte/Li-metal interface by molecular dynamics simulations M Ebadi, LT Costa, CM Araujo, D Brandell Electrochimica acta 234, 43-51, 2017 | 64 | 2017 |
| Molecular dynamics simulation of polymer electrolytes based on poly (ethylene oxide) and ionic liquids. II. Dynamical properties LT Costa, MCC Ribeiro The Journal of chemical physics 127 (16), 2007 | 62 | 2007 |
| Restricted ion transport by plasticizing side chains in polycarbonate-based solid electrolytes M Ebadi, T Eriksson, P Mandal, LT Costa, CM Araujo, J Mindemark, ... Macromolecules 53 (3), 764-774, 2020 | 59 | 2020 |
| Elucidating the properties of graphene–Deep Eutectic Solvents interface M Atilhan, LT Costa, S Aparicio Langmuir 33 (21), 5154-5165, 2017 | 50 | 2017 |
| 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 | 45 | 2018 |
| Polymer electrolytes based on poly (ethylene glycol) dimethyl ether and the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate: Preparation, physico-chemical … LT Costa, RL Lavall, RS Borges, J Rieumont, GG Silva, MCC Ribeiro Electrochimica acta 53 (4), 1568-1574, 2007 | 42 | 2007 |
| Double Salt Ionic Liquids Based on Ammonium Cations and Their Application for CO2 Capture M Atilhan, B Anaya, R Ullah, LT Costa, S Aparicio The Journal of Physical Chemistry C 120 (31), 17829-17844, 2016 | 37 | 2016 |
| CO2 and H2 adsorption on 3D nitrogen-doped porous graphene: Experimental and theoretical studies TC dos Santos, RC Mancera, MVJ Rocha, AFM da Silva, IO Furtado, ... Journal of CO2 Utilization 48, 101517, 2021 | 33 | 2021 |
| Combined theoretical and experimental studies on CO2 capture by amine-activated glycerol IO Furtado, TC dos Santos, LF Vasconcelos, LT Costa, RG Fiorot, ... Chemical Engineering Journal 408, 128002, 2021 | 24 | 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 |
| A molecular understanding of the phase-behavior of thiophene in the ionic liquid [C4mim]+[BF4]− for extraction from petroleum streams OV Oliveira, AS Paluch, LT Costa Fuel 175, 225-231, 2016 | 24 | 2016 |
| Raman spectra of polymer electrolytes based on poly (ethylene glycol) dimethyl ether, lithium perchlorate, and the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate LT Costa, LJA Siqueira, BG Nicolau, MCC Ribeiro Vibrational Spectroscopy 54 (2), 155-158, 2010 | 24 | 2010 |
Tuanan C. LourençoSão Carlos Institute of Chemistry, University of São Paulo在 usp.br 的电子邮件经过验证
