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Combinatorial screening of highly active Pd binary catalysts for electrochemical oxygen reduction.Flow-induced voltage generation over monolayer graphene in the presence of herringbone grooves.Advances in methods and algorithms in a modern quantum chemistry program package.Entropy and the driving force for the filling of carbon nanotubes with water.A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz.Between scylla and charybdis: hydrophobic graphene-guided water diffusion on hydrophilic substratesEffects of ligands and spin-polarization on the preferred conformation of distannynes.Role of intermediate phase for stable cycling of Na7V4(P2O7)4PO4 in sodium ion batteryImproved reversibility in lithium-oxygen battery: understanding elementary reactions and surface charge engineering of metal alloy catalyst.Single-atom catalysts for CO2 electroreduction with significant activity and selectivity improvements.Protruding interfacial OH groups and 'on-water' heterogeneous catalysis.Carbon nanofluidics of rapid water transport for energy applications.Assessments of semilocal density functionals and corrections for carbon dioxide adsorption on metal-organic frameworks.Adsorption of Carbon Dioxide on Unsaturated Metal Sites in M2 (dobpdc) Frameworks with Exceptional Structural Stability and Relation between Lewis Acidity and Adsorption Enthalpy.Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded Compelexes.On the structure of Si(100) surface: importance of higher order correlations for buckled dimer.A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer.The binding nature of light hydrocarbons on Fe/MOF-74 for gas separation.Strengthening effect of single-atomic-layer graphene in metal-graphene nanolayered composites.A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies.Intermolecular pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations.Cycloaddition of benzene on Si(100) and its surface conversions.Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic.A Fast Implementation of Perfect Pairing and Imperfect Pairing Using the Resolution of the Identity Approximation.Ab initio quantum chemistry calculations on the electronic structure of heavier alkyne congeners: diradical character and reactivity.Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method.Aromaticity of four-membered-ring 6pi-electron systems: N2S2 and Li2C4H4.On the nature of organic catalysis "on water".On the absolute thermodynamics of water from computer simulations: a comparison of first-principles molecular dynamics, reactive and empirical force fields.Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.How diradicaloid is a stable diradical?Bifunctional Interface of Au and Cu for Improved CO2 Electroreduction.The critical size of hydrogen-bonded alcohol clusters as effective Brønsted bases in solutions.Ti(N5)4 as a Potential Nitrogen-Rich Stable High-Energy Density Material.On the mechanism of high product selectivity for HCOOH using Pb in CO2 electroreduction.Scaled opposite spin second order Møller-Plesset theory with improved physical description of long-range dispersion interactions.Balancing activity, stability and conductivity of nanoporous core-shell iridium/iridium oxide oxygen evolution catalysts.Polyselenide Anchoring Using Transition-Metal Disulfides for Enhanced Lithium-Selenium Batteries.Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol.Stability, Molecular Sieving, and Ion Diffusion Selectivity of a Lamellar Membrane from Two-Dimensional Molybdenum Disulfide.
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Yousung Jung
@ast
Yousung Jung
@en
Yousung Jung
@es
Yousung Jung
@nl
Yousung Jung
@sl
type
label
Yousung Jung
@ast
Yousung Jung
@en
Yousung Jung
@es
Yousung Jung
@nl
Yousung Jung
@sl
prefLabel
Yousung Jung
@ast
Yousung Jung
@en
Yousung Jung
@es
Yousung Jung
@nl
Yousung Jung
@sl
P1053
D-1676-2010
P106
P31
P3829
P496
0000-0003-2615-8394