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The Journal of Chemical Physics|May 20, 2006
Molecular dynamics simulation of polymer electrolytes based on poly(ethylene oxide) and ionic liquids. I. Structural propertiesLuciano T Costa, Mauro C C Ribeiro
The Journal of Chemical Physics|November 6, 2007
Molecular dynamics simulation of polymer electrolytes based on poly(ethylene oxide) and ionic liquids. II. Dynamical propertiesLuciano T Costa, Mauro C C Ribeiro
Langmuir : the ACS Journal of Surfaces and Colloids|May 10, 2017
Elucidating the Properties of Graphene-Deep Eutectic Solvents InterfaceMert Atilhan, Luciano T Costa, Santiago Aparicio
Physical Chemistry Chemical Physics : PCCP|March 21, 2025
A theoretical investigation of heavy atom and oxidation effects in MR-TADF emitters for OLEDs: a combined DFT, double hybrid DFT, CCSD, and QM/MM approachesSingaravel Nathiya, Murugesan Panneerselvam, Luciano T Costa
ACS Omega|December 16, 2024
Computational Study on the Proton Reduction Potential of Co, Rh, and Ir Molecular Electrocatalysts for the Hydrogen Evolution ReactionMurugesan Panneerselvam, Madhavan Jaccob, Luciano T Costa
The Journal of Chemical Physics|July 17, 2015
Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blendLuciano T Costa, Bing Sun, Fabian Jeschull, et al.
The Journal of Physical Chemistry. B|July 3, 2014
A quantum chemistry study for ionic liquids applied to gas capture and separationGiane B Damas, Amina B A Dias, Luciano T Costa
The Journal of Chemical Physics|October 12, 2018
A molecular dynamics study of lithium-containing aprotic heterocyclic ionic liquid electrolytesTuanan C Lourenço, Yong Zhang, Luciano T Costa, et al.
The Journal of Physical Chemistry. B|November 20, 2018
Encapsulation of the Sulfur Compounds by Cucurbit[7]uril: A Quantum Chemistry StudyOsmair Vital de Oliveira, Gabriela de Carvalho Costa, Luciano T Costa
The Journal of Physical Chemistry. B|March 15, 2016
Understanding the Solubility of Acetaminophen in 1-n-Alkyl-3-methylimidazolium-Based Ionic Liquids Using Molecular SimulationAndrew S Paluch, Tuanan C Lourenço, Fenglin Han, et al.
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