| Understanding and reducing errors in density functional calculations MC Kim, E Sim, K Burke Physical review letters 111 (7), 073003, 2013 | 369 | 2013 |
| Ultrathin zirconium disulfide nanodiscs J Jang, S Jeong, J Seo, MC Kim, E Sim, Y Oh, S Nam, B Park, J Cheon Journal of the American Chemical Society 133 (20), 7636-7639, 2011 | 162 | 2011 |
| Communication: Avoiding unbound anions in density functional calculations MC Kim, E Sim, K Burke The Journal of chemical physics 134 (17), 2011 | 126 | 2011 |
| The importance of being inconsistent A Wasserman, J Nafziger, K Jiang, MC Kim, E Sim, K Burke Annual review of physical chemistry 68, 555-581, 2017 | 122 | 2017 |
| Ions in solution: Density corrected density functional theory (DC-DFT) MC Kim, E Sim, K Burke The Journal of chemical physics 140 (18), 2014 | 117 | 2014 |
| Improved DFT potential energy surfaces via improved densities MC Kim, H Park, S Son, E Sim, K Burke The journal of physical chemistry letters 6 (19), 3802-3807, 2015 | 102 | 2015 |
| Benchmarks and reliable DFT results for spin gaps of small ligand Fe (II) complexes S Song, MC Kim, E Sim, A Benali, O Heinonen, K Burke Journal of chemical theory and computation 14 (5), 2304-2311, 2018 | 85 | 2018 |
| Reversible transformation of helical coils and straight rods in cylindrical assembly of elliptical macrocycles JK Kim, E Lee, MC Kim, E Sim, M Lee Journal of the American Chemical Society 131 (49), 17768-17770, 2009 | 81 | 2009 |
| Biased helical folding of chiral oligoindole foldamers VR Naidu, MC Kim, J Suk, HJ Kim, M Lee, E Sim, KS Jeong Organic Letters 10 (23), 5373-5376, 2008 | 79 | 2008 |
| Mass Transport Control by Surface Graphene Oxide for Selective CO Production from Electrochemical CO2 Reduction DLT Nguyen, CW Lee, J Na, MC Kim, NDK Tu, SY Lee, YJ Sa, DH Won, ... ACS Catalysis 10 (5), 3222-3231, 2020 | 56 | 2020 |
| Hydrogen Bonding-Mediated Enhancement of Bioinspired Electrochemical Nitrogen Reduction on Cu2–xS Catalysts MC Kim, H Nam, J Choi, HS Kim, HW Lee, D Kim, J Kong, SS Han, ... ACS Catalysis 10 (18), 10577-10584, 2020 | 42 | 2020 |
| Electron Transfer‐Induced Metal Spin‐Crossover at NiCo2S4/ReS2 2D–2D Interfaces for Promoting pH‐universal Hydrogen Evolution Reaction C Pei, MC Kim, Y Li, C Xia, J Kim, W So, X Yu, HS Park, JK Kim Advanced Functional Materials 33 (4), 2210072, 2023 | 36 | 2023 |
| Origin of enhanced ammonia synthesis on Ru–Co catalysts unraveled by density functional theory MJ Banisalman, MC Kim, SS Han Acs Catalysis 12 (2), 1090-1097, 2022 | 26 | 2022 |
| High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts BC Yeo, H Nam, H Nam, MC Kim, HW Lee, SC Kim, SO Won, D Kim, ... npj Computational Materials 7 (1), 137, 2021 | 26 | 2021 |
| Meticulous integration of N and C active sites in Ni2P electrocatalyst for sustainable ammonia oxidation and efficient hydrogen production C Jo, S Surendran, MC Kim, TY An, Y Lim, H Choi, G Janani, ... Chemical Engineering Journal 463, 142314, 2023 | 20 | 2023 |
| Anisotropic growth of Pt on Pd nanocube promotes direct synthesis of hydrogen peroxide MC Kim, GH Han, X Xiao, J Song, J Hong, E Jung, HK Kim, JP Ahn, ... Applied Surface Science 562, 150031, 2021 | 20 | 2021 |
| Solid-solution alloying of immiscible Pt and Au boosts catalytic performance for H2O2 direct synthesis HW Lee, H Nam, GH Han, YH Cho, BC Yeo, MC Kim, D Kim, KY Lee, ... Acta Materialia 205, 116563, 2021 | 13 | 2021 |
| Atomistic origin of mechanochemical NH3 synthesis on Fe catalysts HW Lee, GU Jeong, MC Kim, D Kim, S Kim, SS Han International Journal of Hydrogen Energy 48 (10), 3931-3941, 2023 | 5 | 2023 |
| Three-in-One Strategy to Improve Both Catalytic Activity and Selectivity: Nonconcentric Pd–Au Nanoparticles HW Lee, E Jung, GH Han, MC Kim, D Kim, KY Lee, SS Han, T Yu The Journal of Physical Chemistry Letters 12 (45), 11098-11105, 2021 | 5 | 2021 |
| Electrochemically modeling a nonelectrochemical system: Hydrogen peroxide direct synthesis on palladium catalysts MC Kim, SS Han The Journal of Physical Chemistry Letters 12 (19), 4490-4495, 2021 | 5 | 2021 |
