publicações selecionadas
- Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity
- Photon Upconversion in TTA-Inducing Ionic Liquids: Pinpointing the Role of IL Nanostructured Media Using MD Simulations
- Vapor Pressure Assessment of Sulfolane-Based Eutectic Solvents: Experimental, PC-SAFT, and Molecular Dynamics
- The heterogeneous nature of the lithium-ion diffusion in highly concentrated sulfolane-based liquid electrolytes
- Cálculos de Solvatação de Reagentes, Intermediários e Complexos Ativados de Reações de Hidrólise
- Exploring Mannosylpurines as Copper Chelators and Cholinesterase Inhibitors with Potential for Alzheimer?s Disease
- On the symmetrical and unsymmetrical reference state for ionic liquids modeling: Electrolytes versus neutral compounds
- Immobilization of His-tagged proteins on NiO foams for recyclable enzymatic reactors
- Cation-Anion and Cation-Cation Interactions in Mixtures of Hydroxy-functionalized and Aprotic Ionic Liquids
- The Nanostructure of Alkyl-Sulfonate Ionic Liquids: Two 1-Alkyl-3-methylimidazolium Alkyl-Sulfonate Homologous Series
- Computational insights into substituent effects on the stability and reactivity of flavylium cation analogs of anthocyanins
- Molecular origins of nonideality in surface properties of Surfactant-Ionic liquid mixed monolayers
- Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs
- Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide-glyme systems: coordination in MD simulations with scaled charges
- The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach
- Bio-inspired hydrophilic bistriflimide-based ionic liquids: Molecular dynamics modeling and simulations
- Estudo Do Método De Equalização Da Eletronegatividade No Cálculo De Energias Livres De Solvatação ? GBEEM-ELR