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Metal cation complexation with natural organic matter in aqueous solutions: M...
Natural organic matter (NOM, or humic substance) has a known tendency to form colloidal aggregates in aqueous environments, with the composition and concentration of... -
Structure and Dynamics of Conducting Poly(aniline) based Compounds
This thesis concerns one full study of structural and dynamical properties ofone family of conducting compounds of “plastdoped” polyaniline. Various experimental... -
Strong specific hydroxide ion binding at the pristine oil/water and air/water...
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Lanthanoids(III) and actinoids(III) in water : diffusion coefficients and hyd...
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The kinetic friction coefficient of neutral and charged polymer brushes.
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Terahertz microfluidic sensor for in situ exploration of hydration shell of m...
Hydration is the interaction between water and other molecules in aqueous solutions. Understanding the hydration mechanisms is crucial because they are involved in... -
Line Profiles of Ni-like Collisional XUV Laser Amplifiers: Particle Correlati...
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Influence of solvation on the structural and capacitive properties of electri...
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Molecular simulations of new ammonium-based ionic liquids as environmentally ...
The aim of the present work is to understand at the molecular level the structure and interactions of ionic liquids at metallic surfaces, using molecular dynamics... -
Recent Progress in Density Functional Methodology for Biomolecular Modeling
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Molecular dynamics studies of interpenetrating polymer networks for actuator ...
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Influence of confinement on thermodiffusion
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On the characterization of inhomogeneity of the density distribution in super...
We combined molecular dynamics simulation and DBSCAN algorithm (Density Based Spatial Clustering of Application with Noise) in order to characterize the local density... -
Gas-phase structure of amyloid-β (12 - 28) peptide investigated by infrared s...
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Exploring the recognition of membrane curvature by the ALPS motif
Some biological processes such as vesicular transport are regulated by motifs that guide proteins to curved membranes. One of them is the ALPS (Amphipathic Lipid... -
Structure and dynamics of water confined in a polyamide reverse-osmosis membr...
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Multiscale modelling and simulation of slip boundary conditions at fluid-soli...
In most applications concerning a fluid flowing over a solid surface, the no-slip velocity condition was widely used because it is simple and produces the results in... -
Molecular dynamics simulations of H-induced plasma processes and cluster-cata...
Three different processes taking place in a plasma reactor; namely, heating and melting of plasma-born hydrogenated silicon clusters by reactions with atomic hydrogen,...
