Journal of Molecular Liquids

Papers
(The H4-Index of Journal of Molecular Liquids is 80. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-11-01 to 2025-11-01.)
ArticleCitations
Ionic complexes in liquid Li–K–Pb alloys485
Molecular dynamic simulations on wetting transition of nanofluid on a single grooved structure354
Deconstruction of technical grade diglycerol isostearate enables the controlled preparation of hexosomes and liposomes346
Reply to “Comments on ‘Solubility and thermodynamic properties of an energetic intermediate in four binary solvents (water + n-butanol, n-pentanol, isobutanol and isoamyl alcohol)’”307
Corrigendum to “Densities and viscosities of (ethylene glycol - water) and (1,3-propanediol - water) binary mixtures at high temperatures of 373.2 and 473.2 K and high pressures up to 40 MPa” [J Mol. 306
Investigation of micellization and thermodynamic properties of cationic gemini surfactant (12-2-O-2-12) in the presence of organic solvents290
Probing host guest inclusion complex and its applications by biophysical approach subsequently optimized by molecular docking253
Density functional theory study on biodiesel production from yeast lipid catalyzed by imidazolium ionic liquid211
A physical picture of liquid–liquid phase separation of proteins205
Molecular modeling and molecular dynamics investigations of water mediated diffusion of biogenic nanosilica into plant leaf’s epicuticular wax layer194
Catalytic reduction of toxins with metal nanoparticles fabricated in microgels and sodium borohydride: A comprehensive review187
Experimental and theoretical investigation of water sorption on lemon leaves: New perspectives with statistical physical modeling181
Editorial Board172
Thermal hysteresis of mesoscopic phase transitions in fluid metals: From tantalum to aluminum and gold with their critical points and non-mean-field global diagrams170
Self-assembly and phase transition of gold nanoclusters in natural deep eutectic solvent for visual detection of toxicants in water environment159
Comment to the article “A crucial incorrect understanding in the traditional solution theory” from Zhong-Hua Yang and Kun-Peng Yang (J. Molecular Liq. 310 (2020) 112379)157
Physicochemical properties of ionic liquids with indole removal function156
On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study149
Evaluation and correlation of self-healing functionalized silane-based hybrid nanocomposite materials as corrosion inhibitor147
A DFT-based study on CFBP: Structural, solvent spectroscopic analysis and ligand protein interaction with the antipsychotic characteristics147
Thermophysical properties of binary mixtures of diethyl ether as oxygenate with cyclohexane and aromatic hydrocarbons142
Neutral polymer-pseudo polyelectrolyte transition of a post irradiated polymer dissolved in water142
Corrigendum to “Incorporation of MgO-humic acid in iron oxide based magnetic composite facilitates for effective remediation of lead, arsenic and bacterial effect in water” [J.Mol. Liquids 380 (2023) 136
Rheology of high-temperature resistant fracturing fluids formed by VES, acids and oxidants for enhancing CO2 injection in deep coal seams135
Molecular dynamics study of the influence of water molecular phase state on the replacement of CO2–CH4 hydrate in porous media134
Hansen solubility parameters and green nanocarrier based removal of trimethoprim from contaminated aqueous solution125
Tuning the CO2 absorption and physicochemical properties of K+ chelated dual functional ionic liquids by changing the structure of primary alkanolamine ligands125
Editorial Board124
Editorial Board122
Molecular aggregation effect on the antagonistic adsorption of pharmaceuticals from aqueous solution using bone char: DFT calculations and multicomponent experimental studies121
Difference in the hydration state of water at the hydrophobic interface of structural isomers of propanol investigated by U.V visible absorption and Raman spectroscopic study120
Multiwavelength spectrophotometric-thermodynamic studies of complexation reactions of newly synthesized triazenes with Hg2+, Pb2+, Zn2+, and Cd2+ in MeOH, EtOH, DMF, and DMSO119
Retention characteristics, saturated vapor pressure and vaporization enthalpy of mesityl oxide ethers of linear alcohols C1–C5119
Topological descriptors and Laplace spectra in simple hydrogen bonded systems119
Entropy-driven conformational transition of flexible Z-DNA to a novel non-B helix by double-methylated guanosine117
Difference in aqueous solution structure at 293.2 and 473.2 K between ethanol and ethylene glycol via molecular dynamics115
SAFT-γ force field for the simulation of molecular fluids 9: Coarse-grained 115
Coordination reaction triggered xanthan gum and Fe(III) self-assembly and adsorption on hematite surface for quartz-hematite flotation separation115
Comparative study on encapsulation of four different flavonoids into pea protein isolate nanoparticles: The impact of glycosylation114
Co-loading of doxorubicin and anti-cancer peptide LL-37 on covalently functionalized carbon nanotubes; a molecular dynamics simulation study114
Activation induced fluidization of a confined viscous liquid107
On the hydrolysis of iron ions: DFT-based molecular dynamics perspective106
Study of the effect of high-temperature activation of quartz on the adsorption of gold cyanide104
Synthesis and mesomorphism of 3,4-dialkoxyphenylpyridine complexes of silver(I)103
Molecular dynamic investigation on the thermophysical properties of binary molten carbonate mixtures103
Editorial Board100
Encapsulation of the quercetin with interpolyelectrolyte complex based on pillar[5]arenes99
Affinity and putative entrance mechanisms of alkyl sulfates into the β-CD cavity98
Molecular insights into the compression response of nitrogen/tetrafluoromethane liquid mixture from ab initio molecular dynamics98
Traction behavior and mechanism of molecular level with effects of molecular structure and sliding velocity in boundary lubrication regime: A molecular dynamics study97
Thermodynamic analysis and molecular dynamic simulation of the solubility of risperidone (form I) in the pure and binary solvents97
Molecular insights into complex formation between scandenin and various types of β-cyclodextrin97
Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulation96
Thermodynamic study of interaction effects in aqueous solutions of purine and pyrimidine nucleobases ionic liquids at 298.15 K96
Volumetric, transport and acoustic properties of binary mixtures containing alkanol at 298.15–318.15 K95
Non-covalent interactions in small thiophene clusters94
Alkali halide force fields: Utilizing the melting temperature94
Nanoscale observations of specific ion effects on the interactions between calcite and oil during ion tuned water flooding94
Synthesis, solvatochromism and dipole moment in the ground and excited states of substitute phenol derivative fluorescent Schiff base compounds93
Influence of the cation partner on levulinate ionic liquids properties93
Local stress within a granular molecular solvent matrix, a mechanism for individual ion hydration91
Unravelling the non-covalent interactions in certain n-propyl amine – Ether systems through acoustic and DFT studies at 303.15 K91
Spectroscopic and computational study of molecular interaction of Pexidartinib with homologous mammalian transport proteins90
Simulation study of solvent effect on competitive degradation of aggregation of homo- and hetero- amyloid-β dimers90
Synthesis of carboxyl group functionalized polyhedral oligomeric silsesquioxane for fabricating ultrastable foams driven by high temperature and salinity89
Monte Carlo simulation for the effect of chain stiffness on the free surface of polymer melts88
Evaluation of the influence of surface structure on tribological properties of the solid–liquid interface: Analytical and experimental assessment88
Evaluation of tamoxifen analogues as potential estrogen receptor alpha inhibitors for breast cancer treatment: A computational approach88
Experimental and theoretical study of the Favipiravir association in water solvent86
Liquid-liquid equilibrium of binary ethanol–polyisobutene and ternary ethanol–water–polyisobutene systems under low- and high-pressure conditions: An assessment using the PC-SAFT equation of state86
Improving the separation of guaiacol from n-hexane by adding choline chloride to glycol extracting agents84
Biperiden Hydrochloride/β -Cyclodextrins supramolecular system and its cytotoxicity against lung adenocarcinoma cells83
Parallel (competitive) reactions of micelle formation and cyclodextrin–surfactant inclusion complex formation in aqueous solution: A consequence of the Gibbs–Duhem equation—invariance of the mass acti82
Grafting tetradecyl methacrylate-carbic anhydride (CA) or tetradecyl methacrylate-tetrahydrophthalic anhydride (THPA) co-polymers onto surface-modified nano silica to develop of pour point depressants82
Novel and green hydroxyperylene imide based fluorescent polymer for calcium sulfate scale inhibition82
Polymer-stabilized blue phase liquid crystal devices with ultra-low hysteresis and driving stability81
Solubility of glimepiride in mono- and mixed-solvents at various temperatures: Proposing practical strategy for industrial applications81
Cellulose nanocrystals preparation from microcrystalline cellulose using ionic liquid-DMSO binary mixture as a processing medium80
Mechanisms of electric field-induced interactions between nanodroplets transmitted through a graphene monolayer80
Effect of hydroxyl group on foam features of hydroxyl-based anionic ionic liquid surfactant: Experimental and theoretical studies80
Investigating the potential of eutectic gel-formed composites in developing energy-efficient windows80
Insight into molecular mechanism of human insulin encapsulation into the polyacrylic acid/deoxycholic acid-modified chitosan nanogel: An experimental and molecular dynamics investigation80
Study for removing of silica nanoparticle in pure isopropyl alcohol with a cation exchange membrane80
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