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Efficient and Reversible Electron Doping of Semiconductor-Enriched Single-Walled Carbon Nanotubes by Using Decamethylcobaltocene.DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface.Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model.A density functional theory with a mean-field weight function: applications to surface tension, adsorption, and phase transition of a Lennard-Jones fluid in a slit-like pore.Preferential interaction between DNA and small ions in mixed-size counterion systems: Monte Carlo simulation and density functional study.A density functional theory for Lennard-Jones fluids in cylindrical pores and its applications to adsorption of nitrogen on MCM-41 materials.Density-functional theory and Monte Carlo simulation study on the electric double layer around DNA in mixed-size counterion systems.Thermodynamic and structural properties of mixed colloids represented by a hard-core two-Yukawa mixture model fluid: Monte Carlo simulations and an analytical theory.Binding energy and work function of organic electrode materials phenanthraquinone, pyromellitic dianhydride and their derivatives adsorbed on graphene.Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?A molecular-thermodynamic model for the interactions between globular proteins in aqueous solutions: applications to bovine serum albumin (BSA), lysozyme, alpha-chymotrypsin, and immuno-gamma-globulins (IgG) solutions.Structure of inhomogeneous attractive and repulsive hard-core yukawa fluid: grand canonical Monte Carlo simulation and density functional theory study.Structure and adsorption of a hard-core multi-Yukawa fluid confined in a slitlike pore: grand canonical Monte Carlo simulation and density functional study.Structures and adsorption of binary hard-core Yukawa mixtures in a slitlike pore: grand canonical Monte Carlo simulation and density-functional study.Prediction of collective diffusion coefficient of bovine serum albumin in aqueous electrolyte solution with hard-core two-Yukawa potential.Density functional study on the structures and thermodynamic properties of small ions around polyanionic DNA.Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions.Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory.Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.Excellent Infrared Nonlinear Optical Crystals BaMO(IO₃)₅ (M = V, Ta) Predicted by First Principle CalculationsA modified fundamental measure theory for spherical particles in microchannelsExtended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluidsA fundamental-measure theory for inhomogeneous associating fluidsDensity functional theory for inhomogeneous mixtures of polymeric fluidsStructures of hard-sphere fluids from a modified fundamental-measure theoryA novel weighted density functional theory for adsorption, fluid-solid interfacial tension, and disjoining properties of simple liquid films on planar solid surfacesStabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments
P50
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P50
description
researcher ORCID ID = 0000-0002-7677-3427
@en
wetenschapper
@nl
name
Yang-Xin Yu
@ast
Yang-Xin Yu
@en
Yang-Xin Yu
@nl
type
label
Yang-Xin Yu
@ast
Yang-Xin Yu
@en
Yang-Xin Yu
@nl
prefLabel
Yang-Xin Yu
@ast
Yang-Xin Yu
@en
Yang-Xin Yu
@nl
P31
P496
0000-0002-7677-3427