Publicações
The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert-butanol plus perfluoro tert-butanol
Vaz, ICM; Ferreira, AIMCL; Silva, GMC; Morgado, P; Abranches, DO; Bastos, M; Santos, LMNBF; Filipe, EJM; Coutinho, JAP
2023, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25, 16, 11227-11236.
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Coarse-grain molecular dynamics simulation framework to unravel the interactions of surfactants on silica surfaces for oil recovery
Perez-Sánchez, G; Costa, FM; Silva, GMC; Piñeiro, MM; Coutinho, JAP
2023, COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 670.
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The Challenges of Using COSMO-RS To Describe Polymer Solution Behavior
Silva, GMC; Pantano, DA; Loehlé, S; Coutinho, JAP
2023, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 62, 48, 20936-20944.
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Using the SAFT-?-Mie to Generate Coarse-Grained Force Fields Useable in Molecular Dynamics Simulations: Describing the Micellar Phases of Polyalkylglycols in Aqueous Solutions
Silva, GMC; Pérez-Sanchéz, G; Pantano, DA; Loehlé, S; Coutinho, JAP
2023, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 62, 13, 5658-5667.
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Breaking the Structure of Liquid Hydrogenated Alcohols Using Perfluorinated tert-Butanol: A Multitechnique Approach (Infrared, Raman, and X-ray Scattering) Analyzed by DFT and Molecular Dynamics Calculations
Cabaco, MI; Besnard, M; Cruz, C; Morgado, P; Silva, GMC; Filipe, EJM; Coutinho, JAP; Danten, Y
2022, JOURNAL OF PHYSICAL CHEMISTRY B, 126, 9, 1992-2004.
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