| Influence of charge scaling on the solvation properties of ionic liquid solutions K Cui, A Yethiraj, JR Schmidt The Journal of Physical Chemistry B 123 (43), 9222-9229, 2019 | 47 | 2019 |
| Origins of acid-gas stability behavior in zeolitic imidazolate frameworks: The unique high stability of ZIF-71 K Cui, S Bhattacharyya, S Nair, JR Schmidt Journal of the American Chemical Society 143 (43), 18061-18072, 2021 | 26 | 2021 |
| Enabling efficient and accurate computational studies of MOF reactivity via QM/MM and QM/QM methods K Cui, JR Schmidt The Journal of Physical Chemistry C 124 (19), 10550-10560, 2020 | 26 | 2020 |
| Kinetic model of acid gas induced defect propagation in zeolitic imidazolate frameworks K Cui, S Nair, DS Sholl, JR Schmidt The Journal of Physical Chemistry Letters 13 (28), 6541-6548, 2022 | 14 | 2022 |
| Direct evidence for a sequential electron transfer–proton transfer mechanism in the PCET reduction of a metal hydroxide catalyst MC Kessinger, J Xu, K Cui, Q Loague, AV Soudackov, S Hammes-Schiffer, ... Journal of the American Chemical Society 146 (3), 1742-1747, 2024 | 10 | 2024 |
| General Kinetic Model for pH Dependence of Proton-Coupled Electron Transfer: Application to an Electrochemical Water Oxidation System K Cui, AV Soudackov, MC Kessinger, J Xu, GJ Meyer, S Hammes-Schiffer Journal of the American Chemical Society 145 (35), 19321-19332, 2023 | 9 | 2023 |
| Synthesis and Surface Attachment of Molecular Re (I) Hydride Species with Silatrane Functionalized Bipyridyl Ligands X Jia, K Cui, JL Alvarez-Hernandez, CL Donley, A Gang, ... Organometallics 42 (16), 2238-2250, 2023 | 9 | 2023 |
| Surface diffusion of a glassy discotic organic semiconductor and the surface mobility gradient of molecular glasses Y Li, C Bishop, K Cui, JR Schmidt, MD Ediger, L Yu The Journal of Chemical Physics 156 (9), 2022 | 9 | 2022 |
| Hydrogen on Colloidal Gold Nanoparticles NE Gentry, A Kurimoto, K Cui, JL Cleron, CM Xiang, S Hammes-Schiffer, ... Journal of the American Chemical Society, 2024 | 8 | 2024 |
| Prolific polymorph generator ROY in its liquid and glass: two conformational populations mirroring the crystalline-state distribution Z Chen, Y Gui, K Cui, JR Schmit, L Yu The Journal of Physical Chemistry B 125 (36), 10304-10311, 2021 | 8 | 2021 |
| Modeling the weak pH dependence of proton-coupled electron transfer for tryptophan derivatives K Cui, AV Soudackov, S Hammes-Schiffer The Journal of Physical Chemistry Letters 14 (49), 10980-10987, 2023 | 4 | 2023 |
| Assessment of Acid Gas Adsorption Selectivities in MIL-125-NH2 C Li, Z Yu, K Cui, JR Schmidt, DS Sholl, RP Lively The Journal of Physical Chemistry C 126 (50), 21414-21425, 2022 | 4 | 2022 |
| Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes JL Alvarez-Hernandez, X Zhang, K Cui, AP Deziel, S Hammes-Schiffer, ... Chemical Science 15 (18), 6800-6815, 2024 | 2 | 2024 |
| Computational Modeling of the Acid Gas-induced Evolution in Metal-organic Frameworks K Cui The University of Wisconsin-Madison, 2022 | 2 | 2022 |
| Comment on “Solubilities of ammonia in basic imidazolium ionic liquids”[Fluid Phase Equilib. 297 (2010) 34–39] K Cui, JR Schmidt Fluid Phase Equilibria 492, 78-79, 2019 | 2 | 2019 |
| Theory for proton-coupled energy transfer K Cui, S Hammes-Schiffer The Journal of Chemical Physics 161 (3), 2024 | | 2024 |
| The role of an intramolecular hydrogen bond in the redox properties of carboxylic acid naphthoquinones WD Guerra, E Odella, K Cui, M Secor, RE Dominguez, EJ Gonzalez, ... Chemical Science 15 (42), 17425-17434, 2024 | | 2024 |
JR SchmidtProfessor of Chemistry, UW-MadisonVerified email at chem.wisc.edu