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List of works by Yousung Jung

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Advances in methods and algorithms in a modern quantum chemistry program package.

scientific article
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

article
Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method

scientific article published in November 2004
On the nature of organic catalysis "on water".

scientific article published on 28 March 2007
Unprecedented high-temperature CO2 selectivity in N2-phobic nanoporous covalent organic polymers

scientific article
Entropy and the driving force for the filling of carbon nanotubes with water

scientific article
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

scientific article published in October 2004
Carbon nanofluidics of rapid water transport for energy applications

scientific article published on January 21, 2014
On the mechanism of enhanced oxygen reduction reaction in nitrogen-doped graphene nanoribbons

scientific article published on 22 September 2011
New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations

scientific article published on 30 December 2010
A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

scientific article published on 23 November 2011
Strengthening effect of single-atomic-layer graphene in metal-graphene nanolayered composites

scientific article published in January 2013
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

scientific article published in September 2005
The High Performance of Crystal Water Containing Manganese Birnessite Cathodes for Magnesium Batteries

scientific article published on 22 May 2015
Role of intermediate phase for stable cycling of Na7V4(P2O7)4PO4 in sodium ion battery

scientific article published on 30 December 2013
Anomalous manganese activation of a pyrophosphate cathode in sodium ion batteries: a combined experimental and theoretical study

scientific article published on 5 February 2013
Scaled opposite spin second order Møller-Plesset theory with improved physical description of long-range dispersion interactions

scientific article
Single-atom catalysts for CO2 electroreduction with significant activity and selectivity improvements.

scientific article published on 19 September 2016
Improved reversibility in lithium-oxygen battery: understanding elementary reactions and surface charge engineering of metal alloy catalyst

scientific article published on 27 February 2014
Ab Initio Study of the Sodium Intercalation and Intermediate Phases in Na0.44MnO2 for Sodium-Ion Battery

Directing the structural features of N(2)-phobic nanoporous covalent organic polymers for CO(2) capture and separation

scientific article published on 11 December 2013
A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer

scientific article
Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy

scientific article published in December 2006
Ab initio quantum chemistry calculations on the electronic structure of heavier alkyne congeners: diradical character and reactivity

scientific article published in June 2006
Between scylla and charybdis: hydrophobic graphene-guided water diffusion on hydrophilic substrates

scientific article published on January 2013
On the absolute thermodynamics of water from computer simulations: a comparison of first-principles molecular dynamics, reactive and empirical force fields

scientific article
Porous cationic polymers: the impact of counteranions and charges on CO2 capture and conversion

scientific article published on 19 November 2015
How diradicaloid is a stable diradical?

scientific article published in April 2003
Selective nitrogen capture by porous hybrid materials containing accessible transition metal ion sites

scientific article
Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity

scientific article published in September 2007
The binding nature of light hydrocarbons on Fe/MOF-74 for gas separation

scientific article published on October 17, 2013
Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

Stability, Molecular Sieving, and Ion Diffusion Selectivity of a Lamellar Membrane from Two-Dimensional Molybdenum Disulfide

scientific article published on 15 March 2017
Skeletal Octahedral Nanoframe with Cartesian Coordinates via Geometrically Precise Nanoscale Phase Segregation in a Pt@Ni Core–Shell Nanocrystal

scientific article published on 05 March 2015
Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO

Balancing activity, stability and conductivity of nanoporous core-shell iridium/iridium oxide oxygen evolution catalysts

scientific article published on 13 November 2017
Electrochemical and Thermal Properties of NASICON Structured Na3V2(PO4)3as a Sodium Rechargeable Battery Cathode: A Combined Experimental and Theoretical Study

Aromaticity of four-membered-ring 6pi-electron systems: N2S2 and Li2C4H4.

scientific article published in March 2004
Hydrogen-Bond-Assisted Controlled C–H Functionalization via Adaptive Recognition of a Purine Directing Group

scientific article published on 13 January 2014
High capacity carbon dioxide adsorption by inexpensive covalent organic polymers

Doping palladium with tellurium for the highly selective electrocatalytic reduction of aqueous CO2 to CO.

scientific article
Critical Role of Crystal Water for a Layered Cathode Material in Sodium Ion Batteries

Tuning Metal–Organic Frameworks with Open-Metal Sites and Its Origin for Enhancing CO2 Affinity by Metal Substitution

scientific article published on 07 March 2012
A Fast Implementation of Perfect Pairing and Imperfect Pairing Using the Resolution of the Identity Approximation.

scientific article
Observation of the wrapping mechanism in amine carbon dioxide molecular interactions on heterogeneous sorbents

scientific article published on 13 May 2016
Ti(N5)4 as a Potential Nitrogen-Rich Stable High-Energy Density Material

scientific article published on 6 June 2016
Rollover Cyclometalation Pathway in Rhodium Catalysis: Dramatic NHC Effects in the C–H Bond Functionalization

scientific article published on 09 October 2012
Suppression of Hydrogen Evolution Reaction in Electrochemical N2 Reduction Using Single-Atom Catalysts: A Computational Guideline

Highly Efficient Catalytic Cyclic Carbonate Formation by Pyridyl Salicylimines

scientific article published on 12 March 2018
Adsorbate-driven reactive interfacial Pt-NiO nanostructure formation on the PtNi(111) alloy surface

scientific article published on 13 July 2018

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