| 2024-05 |
Synergistic electronic structure modulation in single-atomic Ni sites dispersed on Ni nanoparticles encapsulated in N-rich carbon nanotubes synthesized at low temperature for efficient CO2 electrolysis |
Applied Catalysis B: Environment and Energy
|
| 2024-04 |
A natural molecule-driven organometallic conformal overlayer for high efficiency photoelectrochemical water splitting |
Applied Catalysis B: Environmental
|
| 2024-03 |
Synthesis of RhH-doped Au–Ag alloy nanoclusters and dopant evolution |
Nanoscale
|
| 2024-02 |
Enantio- and diastereoselective conjugate addition of pyridyl alkyl ketones to enones by Cu(II)-Lewis acid/Brønsted base catalysis |
Organic Chemistry Frontiers
|
| 2023-11 |
Electron donor–acceptor type delayed fluorescence emitters with inverted singlet and triplet excited states |
Chemical Engineering Journal
|
| 2023-11 |
Bending behavior of the cysteinyl bolaamphiphile nanobelt assembly induced by the anisotropic disulfide bond formation |
Journal of Industrial and Engineering Chemistry
|
| 2023-10 |
Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination |
The Journal of Physical Chemistry Letters
|
| 2023-09 |
Advanced interfacial phase change material: Structurally confined and interfacially extended superlattice |
Materials Today
|
| 2023-08 |
Superatom-in-Superatom Nanoclusters: Synthesis, Structure, and Photoluminescence |
Angewandte Chemie International Edition
|
| 2023-02 |
Extending density functional theory with near chemical accuracy beyond pure water |
Nature communications
|
| 2023-01 |
Phospholipid-based nanodrill technology for enhanced intracellular delivery of nano-sized cargos |
Smart Materials in Medicine
|
| 2022-12 |
Conversion between Metavalent and Covalent Bond in Metastable Superlattices Composed of 2D and 3D Sublayers |
ACS Nano
|
| 2022-11 |
High-Voltage Symmetric Nonaqueous Redox Flow Battery Based on Modularly Tunable [Ru2M(?3-O)(CH3CO2)6(py)3] (M = Ru, Mn, Co, Ni, Zn) Cluster Compounds with Multielectron Storage Capability |
ACS MATERIALS LETTERS
|
| 2022-08 |
Pyrrolic N-Stabilized Monovalent Ni Single-Atom Electrocatalyst for Efficient CO<inf>2</inf> Reduction: Identifying the Role of Pyrrolic–N and Synergistic Electrocatalysis |
Advanced Functional Materials
|
| 2022-04 |
Improving Results by Improving Densities: Density-Corrected Density Functional Theory |
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
| 2022-04 |
Soft-wall ion transfer channel accurately predicts sterically hindered ion channel permeability |
BULLETIN OF THE KOREAN CHEMICAL SOCIETY
|
| 2022-03 |
Thermal extinction and image misregistration on metallic nanowire arrays |
Proceedings of SPIE - The International Society for Optical Engineering
|
| 2022-03 |
Excited state charge transfer promoted Raman enhancement of copper phthalocyanine by twisted bilayer graphenes |
CARBON
|
| 2022-02 |
Density-Corrected DFT Explained: Questions and Answers |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
|
| 2021-10 |
Ultrafast Carrier-Lattice Interactions and Interlayer Modulations of Bi2Se3 by X-ray Free-Electron Laser Diffraction |
NANO LETTERS
|
| 2021-10 |
Superatom-in-Superatom [RhH@Ag24(SPhMe2)18]2- Nanocluster |
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
|
| 2021-03 |
KS-pies: Kohn–Sham inversion toolkit |
JOURNAL OF CHEMICAL PHYSICS
|
| 2021-03 |
Explaining and Fixing DFT Failures for Torsional Barriers |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2021-01 |
Density Sensitivity of Empirical Functionals |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2020-11 |
Characterization of surface plasmon resonance detection based on the colocalization effect inside metallic nanogap |
Proceedings of SPIE - The International Society for Optical Engineering
|
| 2020-08 |
Measuring Density-Driven Errors Using Kohn–Sham Inversion |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
|
| 2020-06 |
Modulation of the photoelectrochemical behavior of Au nanocluster–TiO2 electrode by doping |
CHEMICAL SCIENCE
|
| 2019-12 |
Density Functional Analysis: The Theory of Density-Corrected DFT |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
|
| 2019-07 |
Conformational Heterogeneity in Large Macrocyclic Thiophenes |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2019-02 |
Thermal properties and extinction of a wire-grid polarizer |
Proceedings of SPIE - The International Society for Optical Engineering
|
| 2019-02 |
Understanding DFT Calculations of Weak Interactions: Density-Corrected Density Functional Theory |
Journal of the Korean Chemical Society
|
| 2019-01 |
Halogen and Chalcogen Binding Dominated by Density-Driven Errors |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2018-11 |
Quantifying Density Errors in DFT |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2018-10 |
Microscale heat transfer and thermal extinction of a wire-grid polarizer |
SCIENTIFIC REPORTS
|
| 2018-05 |
Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
|
| 2018-05 |
Investigation and Control of Single Molecular Structures of meso-meso Linked Long Porphyrin Arrays |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2018-04 |
Fluorometric detection of nitroaromatics by fluorescent lead complexes: A spectroscopic assessment of detection mechanism |
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
|
| 2018-02 |
Ion Specificity on Electric Energy Generated by Flowing Water Droplets |
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
|
| 2017-11 |
Effect of Nanogap-Based Light-Matter Colocalization on the Surface Plasmon Resonance Detection |
JOURNAL OF LIGHTWAVE TECHNOLOGY
|
| 2017-08 |
Identification of Droplet-Flow-Induced Electric Energy on Electrolyte-Insulator-Semiconductor Structure |
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
| 2017-05 |
The Importance of Being Inconsistent |
ANNUAL REVIEW OF PHYSICAL CHEMISTRY
|
| 2017-04 |
Blazed wire-grid polarizer for plasmon-enhanced polarization extinction: design and analysis |
OPTICS EXPRESS
|
| 2017-04 |
Interior-filled self-assemblies of tyrosyl bolaamphiphiles regulated by hydrogen bonds |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2017-04 |
Composition-Dependent Hot Carrier Relaxation Dynamics in Cesium Lead Halide (CsPbX3, X=Br and I) Perovskite Nanocrystals |
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
|
| 2016-08 |
Computation of Electron Delocalization for Extended Cyclic Conjugated Molecules |
AUSTRALIAN JOURNAL OF CHEMISTRY
|
| 2016-06 |
Pore dilatation increases the bicarbonate permeability of CFTR, ANO1 and glycine receptor anion channels |
JOURNAL OF PHYSIOLOGY-LONDON
|
| 2016-02 |
Direct observation of structural properties and fluorescent trapping sites in macrocyclic porphyrin arrays at the single-molecule level |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2015-11 |
The Role of Linkers in the Excited-State Dynamic Planarization Processes of Macrocyclic Oligothiophene 12-Mers |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2015-10 |
Improved DFT Potential Energy Surfaces via Improved Densities |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2015-10 |
Excited-state dynamic planarization of cyclic oligothiophenes in the vicinity of a ring-to-linear excitonic behavioral turning point |
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
|
| 2015-08 |
Evaluation of photoluminescence quenching for assessing the binding of nitroaromatic compounds to a tyrosyl bolaamphiphile self-assembly |
ANALYST
|
| 2015-05 |
Self-Rolled Nanotubes with Controlled Hollow Interiors by Patterned Grafts |
SOFT MATTER
|
| 2014-05 |
Ions in solution: Density corrected density functional theory (DC-DFT) |
JOURNAL OF CHEMICAL PHYSICS
|
| 2013-08 |
Understanding and Reducing Errors in Density Functional Calculations |
PHYSICAL REVIEW LETTERS
|
| 2013-06 |
Formation of Rigid Organic Nanotubes with Controlled Internal Cavity Based on Frustrated Aggregate Internal Rearrangement Mechanism |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2012-05 |
Surface Graft Configuration Dependency of the Morphologies of Heterosurface Sheet Polymers |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2012-03 |
Nonmonotonic Size-Dependent Carrier Mobility in PbSe Nanocrystal Arrays |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2012-02 |
Formation of Tubular Scrolls with Controlled Internal Cavity |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2011-05 |
Communication: Avoiding unbound anions in density functional calculations |
JOURNAL OF CHEMICAL PHYSICS
|
| 2011-05 |
Influence of the block hydrophilicity of AB2 miktoarm star copolymers on cluster formation in solutions |
JOURNAL OF CHEMICAL PHYSICS
|
| 2011-05 |
Ultrathin Zirconium Disulfide Nanodiscs |
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
| 2010-12 |
Pathway analysis on DNA charge transfer through adenine and guanine bridges |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2010-02 |
Momentum mismatch for improved plasmon enhanced total internal reflection fluorescence imaging |
Progress in Biomedical Optics and Imaging - Proceedings of SPIE
|
| 2010-01 |
Degree of Coherence of Single-Component Molecular Wires: Dependence on Length, Coupling Strength, and Dissipative Medium |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2009-12 |
Reversible transformation of helical coils and straight rods in cylindrical assembly of elliptical macrocycles |
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
| 2009-12 |
Plasmon-enhanced total-internal-reflection fluorescence by momentum-mismatched surface nanostructures |
Optics Letters
|
| 2009-11 |
Distance-dependent charge transfer mechanism in adenine bridging DNA sequences |
Current Applied Physics
|
| 2009-04 |
Local Structure Invariant Potential for InxGa1-xAs Semiconductor Alloys |
Bulletin of the Korean Chemical Society
|
| 2008-12 |
Biased Helical Folding of Chiral Oligoindole Foldamers |
Organic Letters
|
| 2008-11 |
Stepped Strips from Self-Organization of Oligo(p-phenylene) Rods with Lateral Dendritic Chains |
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
| 2008-10 |
Density Functional Study on the C-H Bond Cleavage of Aldimine by a Rhodium(I) Catalyst |
Bulletin of the Korean Chemical Society
|
| 2008-06 |
Coherence length determination of meso-meso linked porphyrin arrays based on forward-backward pair trajectory analysis |
Journal Of Physical Chemistry A
|
| 2008-04 |
Folding of coordination polymers into double-stranded helical organization |
CHEMISTRY-A EUROPEAN JOURNAL
|
| 2008-03 |
Distance dependent coherence variation in DNA charge-transfer processes |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2008-03 |
Segmented coupled-wave analysis of a curved wire-grid polarizer |
Journal of the Optical Society of America A-Optics Image Science and Vision
|
| 2008-01 |
Monte Carlo study of coherent diffuse photon transport in a homogeneous turbid medium: a degree-of-coherence based approach |
Applied Optics
|
| 2007-04 |
Environment dependent coherence of a short DNA charge transfer system |
BULLETIN OF THE KOREAN CHEMICAL SOCIETY
|
| 2006-08 |
Analysis of bridge-mediated pathways for long-range charge transfer systems |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2006-07 |
Characterization of quantum dynamically significant paths of bridge-mediated charge transfer systems |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2006-01 |
Environmental effect on the relative contribution of the charge-transfer mechanisms within a short DNA sequence |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2005-10 |
Excitation energy transfer rate constants in meso-meso linked Zn(II) porphyrin arrays with energy accepting 5,15-bisphenylethynylated Zn(II) porphyrin |
BULLETIN OF THE KOREAN CHEMICAL SOCIETY
|
| 2005-06 |
Effect of the donor-bridge energy gap on the electron-transfer mechanism in donor-bridge-acceptor systems |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2005-06 |
Effect of conformational heterogeneity on excitation energy transfer efficiency in directly meso - Meso linked Zn(II) porphyrin arrays |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2005-05 |
Parametrization of an anharmonic Kirkwood-Keating potential for AlxGa1-xAs alloys |
JOURNAL OF CHEMICAL PHYSICS
|
| 2004-12 |
Determination of the electron transfer mechanism through decomposition of the density matrix |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2003-05 |
Testing the kinetic energy functional: Kinetic energy density as a density functional |
JOURNAL OF CHEMICAL PHYSICS
|
| 2003-01 |
Effects of grating wall profile on finite aperture polarisation filter |
ELECTRONICS LETTERS
|
| 2002-08 |
A new semiempirical approach to study ground and excited states of metal complexes in biological systems |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 2001-09 |
Quantum dynamics for a system coupled to slow baths: On-the-fly filtered propagator method |
JOURNAL OF CHEMICAL PHYSICS
|
| 2001-05 |
Supercooling in a two-dimensional Lennard-Jones mixture |
JOURNAL OF CHEMICAL PHYSICS
|
| 2001-05 |
On the Bayesian approach to calculating time correlation functions in quantum systems: Reaction dynamics and spectroscopy |
CHEMICAL PHYSICS
|
| 2001-03 |
Quantum rate constants from short time dynamics: An analytic continuation approach |
JOURNAL OF PHYSICAL CHEMISTRY A
|
| 2001-01 |
Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach |
JOURNAL OF CHEMICAL PHYSICS
|
| 1999-10 |
Molecular dipole chains II |
JOURNAL OF PHYSICAL CHEMISTRY B
|
| 1999-04 |
Atomic glasses: Rearrangement processes |
JOURNAL OF CHEMICAL PHYSICS
|
| 1998-11 |
Glass formation and local disorder amorphization in planar clusters |
JOURNAL OF CHEMICAL PHYSICS
|