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The Journal of Chemical Physics|March 17, 2017
Local environment structure and dynamics of CO<sub>2</sub> in the 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide and related ionic liquidsTuanan C Lourenço, Santiago Aparicio, Gabriela C Costa, et al.
The Journal of Chemical Physics|July 16, 2021
Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe<sup>3+</sup>, Al<sup>3+</sup>, and Cu<sup>2</sup>Giane B Damas, Luciano T Costa, Rajeev Ahuja, et al.
The Journal of Chemical Physics|August 17, 2011
Molecular dynamics simulation of liquid trimethylphosphineLuciano T Costa, Thaciana Malaspina, Eudes E Fileti, et al.
Journal of Biomolecular Structure & Dynamics|May 26, 2020
Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screeningOsmair Vital de Oliveira, Gerd B Rocha, Andrew S Paluch, et al.
Organic & Biomolecular Chemistry|February 16, 2024
A theoretical study on radical scavenging activity of phenolic derivatives naturally found within <i>Alternaria alternata</i> extractAlen Binu Abraham, Murugesan Panneerselvam, Cheriyan Ebenezer, et al.
Journal of Computational Chemistry|June 15, 2021
A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid-based electrolyte: Li<sup>+</sup> transport mechanisms and ionic interactionsTuanan C Lourenço, Mahsa Ebadi, Matthew J Panzer, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 22, 2023
The Surface of Ionic Liquids in Water: From an Ionic Tug of War to a Quasi-Ordered Two-Dimensional LayerMarie-Madeleine Walz, Matheus Ruas Miranda Signorelli, Carl Caleman, et al.
The Journal of Physical Chemistry. B|December 14, 2018
Solvation Structure and Dynamics of Li<sup>+</sup> in Ternary Ionic Liquid-Lithium Salt ElectrolytesQianwen Huang, Tuanan C Lourenço, Luciano T Costa, et al.
ACS Applied Materials & Interfaces|October 3, 2024
Nonflammable Ether and Phosphate-Based Liquid Electrolytes for Sodium-Ion BatteriesWessel W A van Ekeren, Alexandre M Pereira, Marcelo Albuquerque, et al.
The Journal of Chemical Physics|May 15, 2024
Exploring electron donor and acceptor effects: DFT analysis of ESIPT/GSIPT in 2-(oxazolinyl)-phenols for photophysical and luminophore enhancementMurugesan Panneerselvam, Reshma Rensil Francis, Singaravel Nathiya, et al.
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