247 results on '"Canongia Lopes, José N. A."'
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2. Influence of matrix recrystallization and nanofiller porosity on the interfacial properties of holey graphene-aluminium nanocomposites
3. Ionic liquids with hydrogenated and perfluorinated chains: Structural study of the [P6,6,6,14][FnCOO] n = 7, 9, 11. Checking the existence of polar – hydrogenated – perfluorinated triphilic continuity
4. Graphdiyne nanotubes in ionic liquids: Characterization of interfacial interactions by molecular dynamics
5. Bio-inspired hydrophilic bistriflimide-based ionic liquids: Molecular dynamics modeling and simulations
6. Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces: An MD Simulation Study
7. A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements
8. Structural characterization of the [CnC1im][C4F9SO3] ionic liquid series: Alkyl versus perfluoroalkyl side chains
9. ABS Composed of Ionic Liquids and Inorganic Salts
10. Tensile and Compressive Behavior of CHC‐Reinforced Copper using Molecular Dynamics
11. Probing the structural features of the 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquid series using Molecular Dynamics simulations
12. Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations
13. Atomistic Simulations of Carbon Nanotubes: Stiffness, Strength, and Toughness of Locally Buckled CNTs
14. List of Contributors
15. Compressive behavior of CNT-reinforced aluminum composites using molecular dynamics
16. Simulation and Modeling in Computational Chemistry: A Molecular Portfolio
17. Refraction Index and Molar Refraction in Ionic Liquid/PEG200 Solutions
18. A molecular dynamics study on the thickness and post-critical strength of carbon nanotubes
19. Interaction diagrams for carbon nanotubes under combined shortening–twisting
20. Three commentaries on the nano-segregated structure of ionic liquids
21. Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations.
22. Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity
23. Water Solubility Trends in Ionic Liquids: The Quantitative Structure–Property Relationship Model versus Molecular Dynamics
24. The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach
25. CL&P: A generic and systematic force field for ionic liquids modeling
26. Ionic Liquids in Polyethylene Glycol Aqueous Solutions: Salting-in and Salting-out Effects
27. Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs
28. Photon Upconversion in TTA-Inducing Ionic Liquids: Pinpointing the Role of IL Nanostructured Media Using MD Simulations
29. The distillation and volatility of ionic liquids
30. 11 - Atomistic Simulations of Carbon Nanotubes: Stiffness, Strength, and Toughness of Locally Buckled CNTs
31. Tuning the miscibility of water in imide-based ionic liquids
32. C13 – a new empirical force field to characterize the mechanical behavior of carbyne chains
33. Transferable, Polarizable Force Field for Ionic Liquids
34. Evidences for a Null Molar Volume Contribution by Hydroxyl Groups in Ammonium Bistriflimide-Based Ionic Liquids
35. A Transferable, Polarisable Force Field for Ionic Liquids
36. Ionic Liquids in Wonderland: From Electrostatics to Coordination Chemistry
37. Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation
38. Negative Pressure Regimes in Ionic Liquids: Structure and Interactions in Stretched Liquids as Probed by NMR
39. Probing the Surface Tension of Ionic Liquids Using the Langmuir Principle
40. Molecular dynamics studies on the structure and interactions of ionic liquids containing amino-acid anions
41. Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering
42. Design of task-specific fluorinated ionic liquids: nanosegregation versus hydrogen-bonding ability in aqueous solutions
43. ILs through the looking glass: electrostatics and structure probed using charge-inverted ionic liquid pairs
44. Solvation of alcohols in ionic liquids – understanding the effect of the anion and cation
45. Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives
46. Comparative structural analyses in four ionic liquid systems: the two low-q peaks of IL structure factor functions
47. Nanosegregation and Structuring in the Bulk and at the Surface of Ionic-Liquid Mixtures
48. Influence of Nanosegregation on the Phase Behavior of Fluorinated Ionic Liquids
49. Densities and Viscosities of Mixtures of Two Ionic Liquids Containing a Common Cation
50. Li+ Local Structure in Li–Tetraglyme Solvate Ionic Liquid Revealed by Neutron Total Scattering Experiments with the 6/7Li Isotopic Substitution Technique
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