José Nuno Canongia Lopes
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José Nuno Canongia Lopes's Degrees
- PhD Computer Science University of Lisbon
- Masters Computer Engineering University of Porto
- Bachelors Computer Science University of Coimbra
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(Suggest an Edit or Addition)José Nuno Canongia Lopes's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- The distillation and volatility of ionic liquids (2006) (1715)
- Nanostructural organization in ionic liquids. (2006) (1451)
- Modeling Ionic Liquids Using a Systematic All-Atom Force Field (2004) (998)
- Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions (2004) (727)
- Aqueous biphasic systems: a boost brought about by using ionic liquids. (2012) (669)
- On the critical temperature, normal boiling point, and vapor pressure of ionic liquids. (2005) (430)
- Molecular force field for ionic liquids III: imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions. (2006) (420)
- Molecular solutes in ionic liquids: a structural perspective. (2007) (396)
- Nonpolar, polar, and associating solutes in ionic liquids. (2006) (380)
- Densities and refractive indices of imidazolium- and phosphonium-based ionic liquids: Effect of temperature, alkyl chain length, and anion (2009) (345)
- Surface tension of ionic liquids and ionic liquid solutions. (2012) (322)
- Volatility of Aprotic Ionic Liquids — A Review (2010) (266)
- CL&P: A generic and systematic force field for ionic liquids modeling (2012) (252)
- Ionic liquids: first direct determination of their cohesive energy. (2007) (241)
- Molecular force field for ionic liquids IV: trialkylimidazolium and alkoxycarbonyl-imidazolium cations; alkylsulfonate and alkylsulfate anions. (2008) (240)
- Deviations from ideality in mixtures of two ionic liquids containing a common ion. (2005) (218)
- High-performance extraction of alkaloids using aqueous two-phase systems with ionic liquids (2010) (211)
- Structure and aggregation in the 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid homologous series. (2014) (211)
- Viscosity of (C2–C14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids in an extended temperature range (2011) (204)
- High-accuracy vapor pressure data of the extended [C(n)C1im][Ntf2] ionic liquid series: trend changes and structural shifts. (2011) (195)
- Accounting for the unique, doubly dual nature of ionic liquids from a molecular thermodynamic and modeling standpoint. (2007) (176)
- Systematic study of the thermophysical properties of imidazolium-based ionic liquids with cyano-functionalized anions. (2013) (174)
- The nature of ionic liquids in the gas phase. (2007) (171)
- Studies on the density, heat capacity, surface tension and infinite dilution diffusion with the ionic liquids (C4mim)(NTf2), (C4mim)(dca), (C2mim)(EtOSO3) and (Aliquat)(dca) (2010) (167)
- Polarity, viscosity, and ionic conductivity of liquid mixtures containing [C4C1im][Ntf2] and a molecular component. (2011) (145)
- On the self-aggregation and fluorescence quenching aptitude of surfactant ionic liquids. (2008) (143)
- Molecular force field for ionic liquids v: hydroxyethylimidazolium, dimethoxy-2- methylimidazolium, and fluoroalkylimidazolium cations and bis(fluorosulfonyl)amide, perfluoroalkanesulfonylamide, and fluoroalkylfluorophosphate anions. (2010) (133)
- The structure of aqueous solutions of a hydrophilic ionic liquid: the full concentration range of 1-ethyl-3-methylimidazolium ethylsulfate and water. (2011) (133)
- High-temperature surface tension and density measurements of 1-alkyl-3-methylimidazolium bistriflamide ionic liquids (2010) (128)
- Compressive behavior of CNT-reinforced aluminum composites using molecular dynamics (2014) (127)
- The magic of aqueous solutions of ionic liquids: ionic liquids as a powerful class of catanionic hydrotropes. (2015) (124)
- Structural and Positional Isomerism Influence in the Physical Properties of Pyridinium NTf2-Based Ionic Liquids: Pure and Water-Saturated Mixtures† (2010) (118)
- Ionic liquid-based aqueous biphasic system for lipase extraction (2011) (116)
- New catanionic surfactants based on 1-alkyl-3-methylimidazolium alkylsulfonates, [C(n)H(2n+1)mim][C(m)H(2m+1)SO(3)]: mesomorphism and aggregation. (2009) (106)
- Nano-segregation in ionic liquids: scorpions and vanishing chains. (2013) (105)
- A tale of two ions: the conformational landscapes of bis(trifluoromethanesulfonyl)amide and N,N-dialkylpyrrolidinium. (2008) (103)
- Multiresolution calculation of ionic liquids (2015) (97)
- Densities and Viscosities of Mixtures of Two Ionic Liquids Containing a Common Cation (2016) (97)
- Prediction of cloud points of biodiesel (2008) (94)
- Salting-out effects in aqueous ionic liquid solutions: cloud-point temperature shifts. (2007) (92)
- Inorganic salts in purely ionic liquid media: the development of High Ionicity Ionic Liquids (HIILs). (2012) (89)
- On the formation of a third, nanostructured domain in ionic liquids. (2013) (82)
- Assessing the dispersive and electrostatic components of the cohesive energy of ionic liquids using molecular dynamics simulations and molar refraction data. (2010) (82)
- Density, thermal expansion and viscosity of cholinium-derived ionic liquids. (2012) (81)
- Interaction between the pi-system of toluene and the imidazolium ring of ionic liquids: a combined NMR and molecular simulation study. (2009) (79)
- Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids. (2011) (78)
- On the role of the dipole and quadrupole moments of aromatic compounds in the solvation by ionic liquids. (2009) (77)
- Solubility of inorganic salts in pure ionic liquids (2012) (74)
- Salting-out in Aqueous Solutions of Ionic Liquids and K3PO4: Aqueous Biphasic Systems and Salt Precipitation (2007) (73)
- Binary mixtures of ionic liquids with a common ion revisited: A molecular dynamics simulation study (2010) (73)
- Mutual solubility of water and structural/positional isomers of N-alkylpyridinium-based ionic liquids. (2010) (73)
- A Transferable, Polarisable Force Field for Ionic Liquids. (2019) (72)
- Using spectroscopic data on imidazolium cation conformations to test a molecular force field for ionic liquids. (2006) (71)
- Condensed phase behaviour of ionic liquid-benzene mixtures: congruent melting of a [emim][NTf2].C6H6 inclusion crystal. (2006) (71)
- Potential energy landscape of bis(fluorosulfonyl)amide. (2008) (69)
- Cation alkyl side chain length and symmetry effects on the surface tension of ionic liquids. (2014) (64)
- Nanosegregation and Structuring in the Bulk and at the Surface of Ionic-Liquid Mixtures. (2017) (63)
- 1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [C(n)H(2)(n)(+1)mim][C(k)H(2)(k)(+1)SO(3)]: synthesis and physicochemical properties. (2009) (63)
- Dependence of the conformational isomerism in 1-n-butyl-3-methylimidazolium ionic liquids on the nature of the halide anion. (2010) (61)
- Pressure−Density−Temperature (p−ρ−T) Surface of [C6mim][NTf2]∥ (2008) (59)
- Structure and aggregation in the 1,3-dialkyl-imidazolium bis(trifluoromethylsulfonyl)imide ionic liquid family: 2. From single to double long alkyl side chains. (2014) (58)
- Ionic Liquids in Polyethylene Glycol Aqueous Solutions: Salting-in and Salting-out Effects (2007) (56)
- Impact of self-aggregation on the formation of ionic-liquid-based aqueous biphasic systems. (2012) (55)
- The effect of the cation alkyl chain branching on mutual solubilities with water and toxicities. (2014) (54)
- 2D or not 2D: structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid. (2012) (53)
- Thermodynamics and micro heterogeneity of ionic liquids. (2010) (51)
- Structural and aggregate analyses of (Li salt + glyme) mixtures: the complex nature of solvate ionic liquids. (2015) (50)
- Nanostructure of trialkylmethylammonium bistriflamide ionic liquids studied by molecular dynamics. (2010) (48)
- A thermophysical and structural characterization of ionic liquids with alkyl and perfluoroalkyl side chains (2015) (47)
- Molecular dynamics simulations of charged dendrimers: low-to-intermediate half-generation PAMAMs. (2007) (46)
- Enhanced dissolution of ibuprofen using ionic liquids as catanionic hydrotropes. (2018) (45)
- Solubility of alkanes, alkanols and their fluorinated counterparts in tetraalkylphosphonium ionic liquids. (2010) (44)
- Three commentaries on the nano-segregated structure of ionic liquids (2010) (44)
- What far-infrared spectra can contribute to the development of force fields for ionic liquids used in molecular dynamics simulations. (2009) (43)
- Complex Structure of Ionic Liquids. Molecular Dynamics Studies with Different Cation–Anion Combinations (2014) (43)
- Raman spectroscopic study, DFT calculations and MD simulations on the conformational isomerism of N-alkyl-N-methylpyrrolidinium bis-(trifluoromethanesulfonyl) amide ionic liquids. (2009) (40)
- Strength and failure mechanisms of cnt-reinforced copper nanocomposite (2018) (38)
- Influence of Nanosegregation on the Phase Behavior of Fluorinated Ionic Liquids (2017) (38)
- Interactions of fluorinated gases with ionic liquids: solubility of CF4, C2F6, and C3F8 in trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide. (2008) (37)
- A molecular dynamics study of the thermodynamic properties of calcium apatites. 1. Hexagonal phases. (2005) (37)
- Solubility isotope effects in aqueous solutions of methane (2002) (36)
- Li(+) Local Structure in Li-Tetraglyme Solvate Ionic Liquid Revealed by Neutron Total Scattering Experiments with the (6/7)Li Isotopic Substitution Technique. (2016) (35)
- Thermophysical and magnetic studies of two paramagnetic liquid salts: [C4mim][FeCl4] and [P6 6 6 14][FeCl4] (2013) (34)
- Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)]. (2008) (34)
- Characteristics of aggregation in aqueous solutions of dialkylpyrrolidinium bromides. (2011) (33)
- Partition Coefficients of Alkaloids in Biphasic Ionic-Liquid-Aqueous Systems and their Dependence on the Hofmeister Series (2012) (33)
- Protonic Ammonium Nitrate Ionic Liquids and Their Mixtures: Insights into Their Thermophysical Behavior. (2016) (33)
- Influence of Nanosegregation on the Surface Tension of Fluorinated Ionic Liquids. (2016) (33)
- A molecular dynamics study on the thickness and post-critical strength of carbon nanotubes (2012) (32)
- Bulk nanostructure of the prototypical 'good' and 'poor' solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]. (2016) (32)
- Liquid-liquid equilibrium of cholinium-derived bistriflimide ionic liquids with water and octanol. (2012) (31)
- Multiphase equilibria using the Gibbs ensemble Monte Carlo method (1997) (31)
- The alternation effect in ionic liquid homologous series. (2014) (31)
- Ionic liquids with anions based on fluorosulfonyl derivatives: from asymmetrical substitutions to a consistent force field model. (2017) (31)
- An all-atom force field for metallocenes. (2006) (31)
- Raman spectroscopic study of the vapor phase of 1-methylimidazolium ethanoate, a protic ionic liquid. (2010) (30)
- Phase equilibria in ionic liquid-aromatic compound mixtures, including benzene fluorination effects. (2009) (30)
- Self-Organization in Ionic Liquids: From Bulk to Interfaces and Films (2015) (30)
- The impact of ionic liquid fluorinated moieties on their thermophysical properties and aqueous phase behaviour. (2014) (28)
- Liquid-Crystalline Ionic Liquids as Ordered Reaction Media for the Diels-Alder Reaction. (2016) (28)
- Probing the structural features of the 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquid series using Molecular Dynamics simulations (2015) (27)
- Solubility of fluorinated compounds in a range of ionic liquids. Cloud-point temperature dependence on composition and pressure (2008) (27)
- All-atom force field for molecular dynamics simulations on organotransition metal solids and liquids. Application to M(CO)(n) (M = Cr, Fe, Ni, Mo, Ru, or W) compounds. (2013) (27)
- Plasma membrane permeabilisation by ionic liquids: a matter of charge (2015) (27)
- Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering. (2018) (25)
- Using 129Xe NMR to Probe the Structure of Ionic Liquids (2013) (25)
- Generation of naphthoquinone radical anions by electrospray ionization: solution, gas-phase, and computational chemistry studies. (2011) (25)
- Additive polarizabilities in ionic liquids. (2016) (25)
- Phase equilibria of haloalkanes dissolved in ethylsulfate- or ethylsulfonate-based ionic liquids. (2010) (24)
- Hydrogen-bonding and the dissolution mechanism of uracil in an acetate ionic liquid: new insights from NMR spectroscopy and quantum chemical calculations. (2013) (24)
- Structural characterization of the [CnC1im][C4F9SO3] ionic liquid series: Alkyl versus perfluoroalkyl side chains (2017) (24)
- Probing the Surface Tension of Ionic Liquids Using the Langmuir Principle (2018) (24)
- The nature of protic ionic liquids in the gas phase revisited: Fourier transform ion cyclotron resonance mass spectrometry study of 1,1,3,3-tetramethylguanidinium chloride. (2010) (24)
- Vaporisation of a dicationic ionic liquid revisited. (2010) (24)
- Liquid- or Solid-Like Behavior of [omim][BF₄] at a Solid Interface? (2011) (23)
- Bridging the gap between ionic liquids and molten salts: group 1 metal salts of the bistriflamide anion in the gas phase. (2009) (23)
- Ionic liquids and reactive azeotropes: the continuity of the aprotic and protic classes. (2010) (23)
- Tension–twisting dependent kinematics of chiral CNTs (2013) (22)
- Unusual LCST-type behaviour found in binary mixtures of choline-based ionic liquids with ethers (2013) (22)
- Charge templates in aromatic plus ionic liquid systems revisited: NMR experiments and molecular dynamics simulations. (2014) (21)
- CNT-reinforced iron and titanium nanocomposites: Strength and deformation mechanisms (2020) (20)
- Induced anisotropy of chiral carbon nanotubes under combined tension-twisting (2013) (19)
- Fragmentation studies of synthetic 2-acylamino-1,4-naphthoquinones by electrospray ionization mass spectrometry. (2006) (19)
- Molecular dynamics study of the thermodynamic properties of calcium apatites. 2. Monoclinic phases. (2006) (19)
- Energetics of aqueous solutions of the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate. (2010) (19)
- Viscosity minima in binary mixtures of ionic liquids + molecular solvents. (2015) (18)
- Shifts in the temperature of maximum density (TMD) of ionic liquid aqueous solutions. (2013) (18)
- Phase Behavior and Thermodynamic Properties of Ionic Liquids, Ionic Liquid Mixtures, and Ionic Liquid Solutions (2005) (17)
- Phase equilibra in binary Lennard-Jones mixtures: phase diagram simulation (1999) (17)
- Comparing the structure of different ionic liquid series: Bistriflamide v. hexafluorophosphate; pure v. equimolar mixtures (2016) (17)
- Application of the atoms in molecules theory and computational chemistry in mass spectrometry analysis of 1,4-naphthoquinone derivatives. (2011) (17)
- Calculation of vapor pressure isotope effects in the rare gases and their mixtures using an integral equation theory (2003) (17)
- Strength and fracture of graphyne and graphdiyne nanotubes (2020) (17)
- Wetting Films of Two Ionic Liquids: [C8mim][BF4] and [C2OHmim][BF4] (2011) (16)
- High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions. (2013) (16)
- Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide. (2018) (16)
- Interaction diagrams for carbon nanotubes under combined shortening–twisting (2011) (16)
- Nicotine: on the potential role of ionic liquids for its processing and purification. (2007) (15)
- Polymorphism in 4'-hydroxyacetophenone: a molecular dynamics simulation study. (2012) (15)
- Effect of alkyl chain length on the adsorption and frictional behaviour of 1-alkyl-3-methylimidazolium chloride ionic liquid surfactants on gold surfaces (2011) (15)
- Solvation of alcohols in ionic liquids - understanding the effect of the anion and cation. (2018) (15)
- Experimental and molecular dynamics simulation study of the sublimation energetics of cyclopentadienyltricarbonylmanganese (Cymantrene). (2008) (15)
- Probing the self-aggregation of ionic liquids in aqueous solutions using density and speed of sound data (2013) (15)
- The excess thermodynamic properties of liquid (CH4+CD4) (1994) (15)
- Mechanical behaviour of carbon nanotubes under combined twisting–bending (2016) (14)
- Solvent effects on the polar network of ionic liquid solutions (2015) (14)
- New insight into phase equilibria involving imidazolium bistriflamide ionic liquids and their mixtures with alcohols and water. (2010) (14)
- Molecular dynamics simulations of molten calcium hydroxyapatite (2006) (13)
- Designing the ammonium cation to achieve a higher hydrophilicity of bistriflimide-based ionic liquids. (2018) (13)
- Structure and dynamics of mica-confined films of [C10C1Pyrr][NTf2] ionic liquid. (2018) (12)
- Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide-glyme systems: coordination in MD simulations with scaled charges. (2019) (12)
- Mixtures of pyridine and nicotine with pyridinium-based ionic liquids (2011) (12)
- Microstructural control and hydration of novel micro-dendritic clinkers with CaO/SiO2 = 1.4 (2015) (12)
- The complex structure of ionic liquids at an atomistic level: from “red-and-greens” to charge templates (2014) (12)
- Molecular dynamics simulations of porphyrin-dendrimer systems: toward modeling electron transfer in solution. (2008) (12)
- Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: insights into their interactions. (2016) (11)
- Ionic Liquid Films at the Water-Air Interface: Langmuir Isotherms of Tetra-alkylphosphonium-Based Ionic Liquids. (2015) (11)
- Solubility of n-butane and 2-methylpropane (isobutane) in 1-alkyl-3-methylimidazolium-based ionic liquids with linear and branched alkyl side-chains. (2015) (11)
- Viscosity mixing rules for binary systems containing one ionic liquid. (2013) (11)
- Liquid Mixtures Involving Cyclic Molecules. 2: Xenon + Cyclobutane (1997) (10)
- From lime to silica and alumina: systematic modeling of cement clinkers using a general force-field. (2015) (10)
- Refraction Index and Molar Refraction in Ionic Liquid/PEG200 Solutions (2015) (10)
- Vapor Pressure Assessment of Sulfolane-Based Eutectic Solvents: Experimental, PC-SAFT, and Molecular Dynamics. (2020) (9)
- Molecular dynamics studies on the structure and interactions of ionic liquids containing amino-acid anions. (2018) (9)
- Energetics of the thermal dimerization of acenaphthylene to heptacyclene. (2006) (9)
- Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity (2021) (9)
- Design of task-specific fluorinated ionic liquids: nanosegregation versus hydrogen-bonding ability in aqueous solutions. (2018) (8)
- Accounting for the Unique, Doubly Dual Nature of Ionic Liquids from a Molecular Thermodynamic and Modeling Standpoint (2008) (8)
- Crystalline-like structures and multilayering in Langmuir films of ionic liquids at the air-water interface. (2016) (8)
- On the pseudo-Grüneisen parameters of molecular liquids (1992) (8)
- Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation. (2019) (8)
- Vapor pressure and related thermodynamic properties of36Ar (2000) (8)
- Towards the development of nanosprings from confined carbyne chains (2020) (7)
- Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives. (2017) (7)
- Non-ideality of an ‘‘ideal’’ liquid mixture: (36Ar+40Ar) (2000) (7)
- Salting effects in ionic liquid aqueous solutions. From aqueous biphasic system formation to salting agent precipitation (2007) (7)
- Novel high-resistance clinkers with 1.10 < CaO/SiO2 < 1.25: production route and preliminary hydration characterization (2016) (7)
- On the classification and representation of ternary phase diagrams: The yin and yang of a T–x approach (2004) (7)
- Comparative structural analyses in four ionic liquid systems: the two low-q peaks of IL structure factor functions (2018) (7)
- Modeling ionic liquids of the 1-alkyl-3-methylimidazolium family using an all-atom force field (2003) (6)
- Evidence for nonideality in the fundamental liquid mixture (36Ar+40Ar) (2000) (6)
- Structure and dynamics of ionic liquids: general discussion. (2018) (6)
- Polycyclic aromatic hydrocarbons as model solutes for carbon nanomaterials in ionic liquids. (2017) (6)
- Aluminum composites reinforced by γ-graphynes: The effect of nanofillers porosity and shape on crystal growth and composite strengthening (2020) (6)
- Microphase separation in mixtures of Lennard-Jones particles (2002) (6)
- Intra-and intermolecular structure of ionic liquids : From conformers to nanostructures (2007) (6)
- Modeling the structure and thermodynamics of ferrocenium-based ionic liquids. (2015) (6)
- Vapor pressure of partially deuterated methanes (CH3D, CH2D2, and CHD3) (1997) (6)
- Adsorption and viscoelastic behaviour of ionic liquid surfactants on gold surfaces (2019) (5)
- The Excess Molar Gibbs Energy of Nuclidic Liquid Mixtures (1995) (5)
- On the effect of the local turbulence scales on the mixing rate of diffusion flames: assessment of two different combustion models (2002) (5)
- Vapour pressure of trideuterioammonia (1992) (5)
- Aqueous Biphasic Systems: A Boost Brought about by Using Ionic Liquids (2012) (5)
- The building-up of phase diagrams (1999) (4)
- Thermodynamics of binary liquid mixtures of partially deuterated methanes with CH4 or CD4 (1997) (4)
- Vapour pressure isotope effects in liquid hydrogen chloride (1992) (4)
- Molecular dynamics simulations of monoclinic calcium apatites: A universal equation of state (2007) (4)
- Vapour pressure of liquid deuterium sulphide (1996) (4)
- Analysis of structural properties in isotopic mixtures: Molecular dynamics methods and Kirkwood-Buff integrals (2004) (4)
- Ionic Liquids in Wonderland: From Electrostatics to Coordination Chemistry (2019) (4)
- Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs (2021) (4)
- ILs through the looking glass: electrostatics and structure probed using charge-inverted ionic liquid pairs. (2018) (4)
- Tuning the miscibility of water in imide-based ionic liquids. (2020) (4)
- Phase behaviour and thermodynamics: general discussion. (2017) (3)
- The chemistry of prasinons A and B. Identification of the nitrogen-containing moiety (1978) (3)
- Hollow calcite rhombohedra at ionic liquid-stabilized bubbles (2012) (3)
- Solvation in ionic liquids: conformations, interaction and liquid structure by molecular simulation (2005) (3)
- Surface Tension of Ionic Liquids and Ionic Liquid Solutions (2012) (3)
- The vapour pressure of liquid cyclopropane (1997) (3)
- Surface Tension of Ionic Liquids and Ionic Liquid Solutions (2012) (3)
- A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements (2019) (3)
- Atomistic Simulations of Carbon Nanotubes: Stiffness, Strength, and Toughness of Locally Buckled CNTs (2018) (3)
- Evidences for a Null Molar Volume Contribution by Hydroxyl Groups in Ammonium Bistriflimide-Based Ionic Liquids (2019) (3)
- Rationalizing the diverse solid-liquid equilibria of binary mixtures of benzene and its fluorinated derivatives. (2010) (3)
- Bio-inspired hydrophilic bistriflimide-based ionic liquids: Molecular dynamics modeling and simulations (2020) (3)
- ABS Composed of Ionic Liquids and Inorganic Salts (2016) (3)
- Viscosity of (C 2C 14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids (2011) (3)
- Thermodynamics of liquid propane + cyclopropane (1997) (2)
- Three-phase osmotic equilibria using the Gibbs ensemble simulation method (2000) (2)
- Deviations from ideal behavior in isotopic mixtures of ammonia (2001) (2)
- Probing Ionic Liquid Aqueous Solutions Using Temperature of Maximum Density Isotope Effects (2013) (2)
- C13 - a new empirical force field to characterize the mechanical behavior of carbyne chains. (2019) (2)
- Photon Upconversion in TTA-Inducing Ionic Liquids: Pinpointing the Role of IL Nanostructured Media Using MD Simulations. (2020) (2)
- Isotopic krypton mixtures revisited: Vapor pressure isotope effects (2002) (2)
- Graphdiyne nanotubes in ionic liquids: Characterization of interfacial interactions by molecular dynamics (2021) (2)
- Molecular dynamics simulations of effective interactions among clinker minerals in aqueous solution and the structure and dynamics of the interstitial water (2021) (1)
- Ionic Liquids in Bulk and at an Interface (2015) (1)
- Molecular Modelling of Ionic Liquids (2015) (1)
- Molecular Solutes in Ionic Liquids: A Structural Perspective (2008) (1)
- 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 (2022) (1)
- Simulation and Modeling in Computational Chemistry: A Molecular Portfolio (2007) (1)
- Modeling ionic liquids using a systematic all-atom force field. Di-alkylimidazolium and tetra-alkylammonium cations, halide, triflate, bistrisflilamide, nitrate and hexa-flurophosphate anions (2005) (1)
- Melted and recrystallized holey-graphene-reinforced aluminum composites: Structure, elasticity and strength (2022) (1)
- Water Solubility Trends in Ionic Liquids: The Quantitative Structure-Property Relationship Model versus Molecular Dynamics. (2021) (1)
- Ionic liquids at interfaces: general discussion. (2018) (1)
- Solubility of Polycyclic Aromatic Hydrocarbons in Ionic Liquids and Ionic Liquid Aqueous Solutions (2015) (0)
- Editorial to the special section on the 5th Congress on ionic liquids (COIL-5), 2013, Algarve, Portugal (2014) (0)
- Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. Part 2. Monoclinic Phases. (2006) (0)
- Thermodynamics and Micro Heterogeneity of Ionic Liquids (2011) (0)
- The importance of being flexible: structural properties of ionic liquids from a molecular perspective (2007) (0)
- Phase equilibria in ionic liquid plus aromatic compound binary systems (2008) (0)
- A Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. Part 1. Hexagonal Phases. (2006) (0)
- COMPUTATIONAL MODELLING OF THE COMPRESSIVE BEHAVIOUR OF CNT-REINFORCED ALUMINIUM COMPOSITES (2013) (0)
- Tensile and Compressive Behavior of CHC‐Reinforced Copper using Molecular Dynamics (2023) (0)
- High-temperature vapour-liquid equilibrium for alcohol binary mixtures and modeling with SAFT-VR : 1 . Ethanol-1-propanol (2014) (0)
- Experimental and simulated solubilities of gases in dialkyl imidazolium ionic liquids (2003) (0)
- Liquid structure of ionic liquids revealed by scattering experiments with the aid of molecular simulations (2010) (0)
- STRENGTH AND STIFFNESS OF CARBON NANOTUBES UNDER COMBINED AXIAL FORCE AND TORSION VIA MOLECULAR DYNAMICS SIMULATIONS (2010) (0)
- Exploring Mannosylpurines as Copper Chelators and Cholinesterase Inhibitors with Potential for Alzheimer’s Disease (2022) (0)
- The Nanostructure of Alkyl-Sulfonate Ionic Liquids: Two 1-Alkyl-3-methylimidazolium Alkyl-Sulfonate Homologous Series (2023) (0)
- Influence of Bond Kinematics on the Rupture of Non-Chiral CNTs under Stretching–Twisting (2014) (0)
- Braga-Portugal MOLECULAR DYNAMICS SIMULATIONS OF PORPHYRIN-DENDRIMER SYSTEMS : TOWARDS MODELLING ELECTRON-TRANSFER IN SOLUTION (2008) (0)
- Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations (2022) (0)
- Influence of Matrix Recrystallization and Nanofiller Porosity on the Interfacial Properties of Holey Graphene-Aluminium Nanocomposites (2023) (0)
- Liquid–Liquid Equilibrium of Cholinium-Derived Bistriflimide Ionic Liquids with Water and Octanol B (2012) (0)
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What Schools Are Affiliated With José Nuno Canongia Lopes?
José Nuno Canongia Lopes is affiliated with the following schools:
