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Nature Communications|October 5, 2019
Exact exchange-correlation potentials from ground-state electron densitiesBikash Kanungo, Paul M Zimmerman, Vikram Gavini
The Journal of Chemical Physics|July 16, 2021
Assessment and prediction of band edge locations of nitrides using a self-consistent hybrid functionalSe-Jun Kim, Sébastien Lebègue, Hyungjun Kim, et al.
Angewandte Chemie (International Ed. in English)|March 20, 2026
cis-Aziridines From Terminal Alkenes via Diastereoselective Intramolecular Electrocatalytic HydroaminationAhhyeon Choi, Hyeonseo Kim, Daniel Yim, et al.
Scientific Reports|October 17, 2019
Structure, Dynamics, and Wettability of Water at Metal InterfacesSuji Gim, Kang Jin Cho, Hyung-Kyu Lim, et al.
The Journal of Physical Chemistry Letters|May 24, 2019
Experimental and Density Functional Theory Corroborated Optimization of Durable Metal Embedded Carbon Nanofiber for Oxygen ElectrocatalysisYoonhoo Ha, Sinwoo Kang, Kahyun Ham, et al.
Angewandte Chemie (International Ed. in English)|August 26, 2024
Enhancement of Lithium-Mediated Nitrogen Reduction by Modifying Center Atom of Tetraalkyl-Type Ionic LiquidsSungbin Yang, Jinwoo Chu, Jihye Park, et al.
The Journal of Physical Chemistry. B|December 22, 2012
Scaled effective solvent method for predicting the equilibrium ensemble of structures with analysis of thermodynamic properties of amorphous polyethylene glycol-water mixturesHyeyoung Shin, Tod A Pascal, William A Goddard, et al.
Journal of the American Chemical Society|December 27, 2021
Enhanced Light Emission through Symmetry Engineering of Halide PerovskitesYoonhoo Ha, Jong-Goo Park, Ki-Ha Hong, et al.
Environmental Science & Technology|October 4, 2014
Nitrite reduction mechanism on a Pd surfaceHyeyoung Shin, Sungyoon Jung, Sungjun Bae, et al.
Physical Chemistry Chemical Physics : PCCP|February 27, 2023
Conformational landscapes of artificial peptides predicted by various force fields: are we ready to simulate β-amino acids?Jihye Park, Hee-Seung Lee, Hyungjun Kim, et al.
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