| Quantifying density errors in DFT E Sim, S Song, K Burke The journal of physical chemistry letters 9 (22), 6385-6392, 2018 | 100 | 2018 |
| Quantifying density errors in DFT E Sim, S Song, K Burke The journal of physical chemistry letters 9 (22), 6385-6392, 2018 | 100 | 2018 |
| Density functional analysis: The theory of density-corrected DFT S Vuckovic, S Song, J Kozlowski, E Sim, K Burke Journal of chemical theory and computation 15 (12), 6636-6646, 2019 | 89 | 2019 |
| 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 | 84 | 2018 |
| Identification of droplet-flow-induced electric energy on electrolyte–insulator–semiconductor structure J Park, S Song, YJ Yang, SH Kwon, E Sim, YS Kim Journal of the American Chemical Society 139 (32), 10968-10971, 2017 | 65 | 2017 |
| Ion specificity on electric energy generated by flowing water droplets J Park, S Song, CH Shin, YJ Yang, SAL Weber, E Sim, YS Kim Angewandte Chemie International Edition 57 (8), 2091-2095, 2018 | 64 | 2018 |
| Improving results by improving densities: Density-corrected density functional theory E Sim, S Song, S Vuckovic, K Burke Journal of the American Chemical Society 144 (15), 6625-6639, 2022 | 61 | 2022 |
| Halogen and chalcogen binding dominated by density-driven errors Y Kim, S Song, E Sim, K Burke The journal of physical chemistry letters 10 (2), 295-301, 2018 | 53 | 2018 |
| Density-corrected DFT explained: Questions and answers S Song, S Vuckovic, E Sim, K Burke Journal of chemical theory and computation 18 (2), 817-827, 2022 | 45 | 2022 |
| Density sensitivity of empirical functionals S Song, S Vuckovic, E Sim, K Burke The journal of physical chemistry letters 12 (2), 800-807, 2021 | 37 | 2021 |
| Measuring density-driven errors using Kohn–Sham inversion S Nam, S Song, E Sim, K Burke Journal of chemical theory and computation 16 (8), 5014-5023, 2020 | 36 | 2020 |
| Superatom‐in‐Superatom [RhH@Ag24(SPhMe2)18]2− Nanocluster H Yi, SM Han, S Song, M Kim, E Sim, D Lee Angewandte Chemie International Edition 60 (41), 22293-22300, 2021 | 26 | 2021 |
| Extending density functional theory with near chemical accuracy beyond pure water S Song, S Vuckovic, Y Kim, H Yu, E Sim, K Burke Nature communications 14 (1), 799, 2023 | 12 | 2023 |
| Seven useful questions in density functional theory S Crisostomo, R Pederson, J Kozlowski, B Kalita, AC Cancio, K Datchev, ... Letters in Mathematical Physics 113 (2), 42, 2023 | 11 | 2023 |
| Direct observation of structural properties and fluorescent trapping sites in macrocyclic porphyrin arrays at the single-molecule level S Ham, JE Lee, S Song, X Peng, T Hori, N Aratani, A Osuka, E Sim, D Kim Physical Chemistry Chemical Physics 18 (5), 3871-3877, 2016 | 7 | 2016 |
| Superatom‐in‐Superatom Nanoclusters: Synthesis, Structure, and Photoluminescence H Yi, S Song, SM Han, J Lee, W Kim, E Sim, D Lee Angewandte Chemie International Edition 62 (33), e202302591, 2023 | 5 | 2023 |
| Conformational Heterogeneity in Large Macrocyclic Thiophenes SH Lee, S Song, J Park, E Sim, J Yang, D Kim The Journal of Physical Chemistry Letters 10 (14), 4136-4141, 2019 | 4 | 2019 |
| Density-corrected density functional theory for open shells: How to deal with spin contamination H Yu, S Song, S Nam, K Burke, E Sim The Journal of Physical Chemistry Letters 14 (41), 9230-9237, 2023 | 1 | 2023 |
| DC-DFT for open shells: How to deal with spin contamination H Yu, S Song, S Nam, K Burke, E Sim arXiv preprint arXiv:2307.10734, 2023 | 1 | 2023 |
| Benchmarks and reliable DFT results for spin-crossover complexes S Song, MC Kim, E Sim, A Benali, O Heinonen, K Burke arXiv preprint arXiv:1708.08425, 2017 | 1 | 2017 |
