Artykuły udostępnione publicznie: - Eunji SimWięcej informacji
Niedostępne w żadnym miejscu: 2
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
Upoważnienia: US National Science Foundation
Fluorometric detection of nitroaromatics by fluorescent lead complexes: A spectroscopic assessment of detection mechanism
T Chattopadhyay, S Chatterjee, I Majumder, S Ghosh, S Yoon, E Sim
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 194, 222-229, 2018
Upoważnienia: Department of Science & Technology, India
Dostępne w jakimś miejscu: 13
The importance of being inconsistent
A Wasserman, J Nafziger, K Jiang, MC Kim, E Sim, K Burke
Annual review of physical chemistry 68 (1), 555-581, 2017
Upoważnienia: US National Science Foundation, US Department of Energy
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
Upoważnienia: US National Science Foundation, Netherlands Organisation for Scientific Research
Quantifying density errors in DFT
E Sim, S Song, K Burke
The journal of physical chemistry letters 9 (22), 6385-6392, 2018
Upoważnienia: US National Science Foundation
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
Upoważnienia: US National Science Foundation, US Department of Energy
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
Upoważnienia: US National Science Foundation, European Commission
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
Upoważnienia: US National Science Foundation, European Commission
Density sensitivity of empirical functionals
S Song, S Vuckovic, E Sim, K Burke
The journal of physical chemistry letters 12 (2), 800-807, 2021
Upoważnienia: US National Science Foundation, Netherlands Organisation for Scientific Research
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
Upoważnienia: US National Science Foundation
Explaining and fixing DFT failures for torsional barriers
S Nam, E Cho, E Sim, K Burke
The journal of physical chemistry letters 12 (11), 2796-2804, 2021
Upoważnienia: US National Science Foundation
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
Upoważnienia: US National Science Foundation, European Commission
KS-pies: Kohn–Sham inversion toolkit
S Nam, RJ McCarty, H Park, E Sim
The Journal of Chemical Physics 154 (12), 2021
Upoważnienia: US National Science Foundation
Ultrafast Carrier–Lattice Interactions and Interlayer Modulations of Bi2Se3 by X-ray Free-Electron Laser Diffraction
S Kim, Y Kim, J Kim, S Choi, K Yun, D Kim, SY Lim, S Kim, SH Chun, ...
Nano letters 21 (20), 8554-8562, 2021
Upoważnienia: US National Science Foundation, US Department of Energy, US Department of …
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
Upoważnienia: US National Science Foundation
Informacje na temat publikacji i finansowania automatycznie określa program komputerowy