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Structure, Molecular Interactions, and Dynamics of Aqueous [BMIM][BF₄] Mixtures: A Molecular Dynamics Study

Lead and mercury removal from aqueous solution using Sodium Dodecyl Sulfate micelles: A molecular dynamics study

Spatiotemporal geo-electrical sensing of a Pluronic-coated cobalt ferrite nanoparticle slug in natural sand flow-through columns.

Solvation of Ethanol, Phenol, and o -Methoxyphenol in Dilute Aqueous Solutions under Normal and Supercritical Conditions

Segmented Ag-Au-Ag Heterojunction Nanorods: Pressure-Assisted Aqueous-Phase Synthesis and Engineered Femtosecond-to-Nanosecond Dynamics.

Electric field-induced gas dissolving in aqueous solutions

Gauging van der Waals Interactions in Aqueous Solutions of 2D MOFs: When Water Likes Organic Linkers More than Open-metal Sites

Anion-water hydrogen bond vibration revealed by the terahertz Kerr effect.

Experimental and Computational Observations of Immunogenic Cobalt Porphyrin Lipid Bilayers: Nanodomain-Enhanced Antigen Association.

Peristaltic activity for electro-kinetic complex driven cilia transportation through a non-uniform channel.

Size-Sensitive Thermoelectric Properties of Electrolyte-Based Nanofluidic Systems.

Nuclear magnetic resonance spin-lattice relaxation of lithium ions in aqueous solution by NMR and molecular dynamics

Energies, Vol. 13, Pages 6031: Molecular Dynamics Simulation of CO2 Diffusion in a Carbonated Water–Decane System

Adsorption of three pesticides on polyethylene microplastics in aqueous solutions: Kinetics, isotherms, thermodynamics, and molecular dynamics simulation.

INFLUENCE OF THE DISSIPATIVE PROPERTIES OF AQUEOUS FOAM ON THE DYNAMICS OF SHOCK WAVES

First solvation shell structure and dynamics of solvated Ca 2+ in dilute aqueous ammonia by first principle approach: a QMCF MD simulation study

Extended Pharmacokinetic Model of the Intravitreal Injections of Macromolecules in Rabbits. : Part 2: Parameter Estimation Based on Concentration Dynamics in the Vitreous, Retina, and Aqueous Humor

Molecules, Vol. 25, Pages 4127: Confinement Effects on Glass-Forming Aqueous Dimethyl Sulfoxide Solutions

Terahertz echoes reveal the inhomogeneity of aqueous salt solutions.

The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems.

Decoding the 2D IR spectrum of the aqueous proton with high-level VSCF/VCI calculations

Modeling Dynamics of Shock Impact on Aqueous Foams with Account for Viscoelastic Properties and Syneresis Phenomena

Performance and community structure dynamics of microbial electrolysis cells operated on multiple complex feedstocks

A coarse-grained model of dimethyl sulfoxide for molecular dynamics simulations with lipid membranes

Energetic and thermodynamical aspects of the cyclodextrins-cannabidiol complex in aqueous solution: a molecular-dynamics study

Comparative analysis of ethanol dynamics in aqueous and non-aqueous solutions

NMR studies on the influence of silica confinements on local and diffusive dynamics in LiCl aqueous solutions approaching their glass transitions

Extended Pharmacokinetic Model of the Intravitreal Injections of Macromolecules in Rabbits. Part 2: Parameter Estimation Based on Concentration Dynamics in the Vitreous, Retina, and Aqueous Humor

Tuning the Performance of Aqueous Organic Redox Flow Batteries via First-Principles Calculations.

The "Hole" Story in Ionized Water from the Perspective of Ehrenfest Dynamics.

A molecular dynamics simulation study on the propensity of Asn-Gly-containing heptapeptides towards <i>β</i>-turn structures: Comparison with <i>ab initio</i> quantum mechanical calculations

The Orientation and Dynamics of Estradiol and Estradiol Oleate in Lipid Membranes and HDL Disc Models.

Interactions and dynamics of two extended conformation adapting phosphatidylcholines in model biomembranes.

Mitochondrion-Directed Nanoparticles Loaded with a Natural Compound and a microRNA for Promoting Cancer Cell Death via the Modulation of Tumor Metabolism and Mitochondrial Dynamics.

Activation energies and the extended jump model: How temperature affects reorientation and hydrogen-bond exchange dynamics in water

Field-Induced Tunneling Ionization and Terahertz-Driven Electron Dynamics in Liquid Water.

Thermally induced structural organization of nanodiscs by coarse-grained molecular dynamics simulations.

Adsorption of tetracyclines onto polyethylene microplastics: A combined study of experiment and molecular dynamics simulation.

Correlation between surface charge and hydration on mineral surfaces in aqueous solutions: A critical review

Influence of particle size on the thermoresponsive and rheological properties of aqueous poly( N -isopropylacrylamide) colloidal suspensions

Modelling the aqueous transport of an infectious pathogen in regional communities: application to the cholera outbreak in Haiti.

Materials, Vol. 13, Pages 4220: Modeling and Optimization of Pollutants Removal during Simultaneous Adsorption onto Activated Carbon with Advanced Oxidation in Aqueous Environment

Hydration and dynamics of L-glutamate ion in aqueous solution

Amyloid-β peptide dimers undergo a random coil to β-sheet transition in the aqueous phase but not at the neuronal membrane

Studying in vivo dynamics of xylem-transported 11CO2 using positron emission tomography

Pharmaceutics, Vol. 12, Pages 756: Mitochondrion-Directed Nanoparticles Loaded with a Natural Compound and a microRNA for Promoting Cancer Cell Death via the Modulation of Tumor Metabolism and Mitochondrial Dynamics

Hydration interactions beyond the first solvation shell in aqueous phenolate solution

Electrode surface modification of graphene-MnO 2 supercapacitors using molecular dynamics simulations

Bioenhanced back diffusion and population dynamics of Dehalococcoides mccartyi strains in heterogeneous porous media.

Water dynamics and self-assembly of single-chain nanoparticles in concentrated solutions