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Physical Chemistry Chemical Physics : PCCP
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January 7, 2016
A mechanistic model for hydrogen activation, spillover, and its chemical reaction in a zeolite-encapsulated Pt catalyst
Hyeyoung Shin, Minkee Choi, Hyungjun Kim
The Journal of Physical Chemistry Letters
|
March 21, 2018
Multiscale Simulation Method for Quantitative Prediction of Surface Wettability at the Atomistic Level
Suji Gim, Hyung-Kyu Lim, Hyungjun Kim
Journal of Chemical Theory and Computation
|
September 2, 2016
A Seamless Grid-Based Interface for Mean-Field QM/MM Coupled with Efficient Solvation Free Energy Calculations
Hyung-Kyu Lim, Hankyul Lee, Hyungjun Kim
Journal of Chemical Theory and Computation
|
April 8, 2025
Kernel-Based Modeling of Electron-Density Polarization at Metal-Liquid Interfaces
Jihun An, Hyung-Kyu Lim, Hyungjun Kim
Journal of Computational Chemistry
|
October 29, 2014
Prediction of the reduction potential of tris(2,2'-bipyridinyl)iron(III/II) derivatives
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
Journal of Computational Chemistry
|
July 23, 2013
A protocol to evaluate one electron redox potential for iron complexes
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
Molecules (Basel, Switzerland)
|
November 15, 2018
Hydration Thermodynamics of Non-Polar Aromatic Hydrocarbons: Comparison of Implicit and Explicit Solvation Models
Hankyul Lee, Hyung-Kyu Lim, Hyungjun Kim
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2013
Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules
Jaeyong Joo, Hyungjun Kim, Sang Soo Han
Scientific Data
|
July 5, 2019
Energy refinement and analysis of structures in the QM9 database via a highly accurate quantum chemical method
Hyungjun Kim, Ji Young Park, Sunghwan Choi
The Journal of Physical Chemistry Letters
|
June 30, 2017
Density Functional Physicality in Electronic Coupling Estimation: Benchmarks and Error Analysis
Hyungjun Kim, Theodore Goodson, Paul M Zimmerman
Page
of 38
Search research articles
Search
Showing results (11-20 of 376) with videos related to
Sort By:
Page
of 38
Physical Chemistry Chemical Physics : PCCP
|
January 7, 2016
A mechanistic model for hydrogen activation, spillover, and its chemical reaction in a zeolite-encapsulated Pt catalyst
Hyeyoung Shin, Minkee Choi, Hyungjun Kim
The Journal of Physical Chemistry Letters
|
March 21, 2018
Multiscale Simulation Method for Quantitative Prediction of Surface Wettability at the Atomistic Level
Suji Gim, Hyung-Kyu Lim, Hyungjun Kim
Journal of Chemical Theory and Computation
|
September 2, 2016
A Seamless Grid-Based Interface for Mean-Field QM/MM Coupled with Efficient Solvation Free Energy Calculations
Hyung-Kyu Lim, Hankyul Lee, Hyungjun Kim
Journal of Chemical Theory and Computation
|
April 8, 2025
Kernel-Based Modeling of Electron-Density Polarization at Metal-Liquid Interfaces
Jihun An, Hyung-Kyu Lim, Hyungjun Kim
Journal of Computational Chemistry
|
October 29, 2014
Prediction of the reduction potential of tris(2,2'-bipyridinyl)iron(III/II) derivatives
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
Journal of Computational Chemistry
|
July 23, 2013
A protocol to evaluate one electron redox potential for iron complexes
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
Molecules (Basel, Switzerland)
|
November 15, 2018
Hydration Thermodynamics of Non-Polar Aromatic Hydrocarbons: Comparison of Implicit and Explicit Solvation Models
Hankyul Lee, Hyung-Kyu Lim, Hyungjun Kim
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2013
Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules
Jaeyong Joo, Hyungjun Kim, Sang Soo Han
Scientific Data
|
July 5, 2019
Energy refinement and analysis of structures in the QM9 database via a highly accurate quantum chemical method
Hyungjun Kim, Ji Young Park, Sunghwan Choi
The Journal of Physical Chemistry Letters
|
June 30, 2017
Density Functional Physicality in Electronic Coupling Estimation: Benchmarks and Error Analysis
Hyungjun Kim, Theodore Goodson, Paul M Zimmerman
Page
of 38