| Synthesis, structure, and characterization of dinuclear copper (I) halide complexes with P^ N ligands featuring exciting photoluminescence properties DM Zink, M Bächle, T Baumann, M Nieger, M Kühn, C Wang, ... Inorganic chemistry 52 (5), 2292-2305, 2013 | 371 | 2013 |
| Assessing excited state methods by adiabatic excitation energies R Send, M Kühn, F Furche Journal of Chemical Theory and Computation 7 (8), 2376-2386, 2011 | 190 | 2011 |
| Superatomic orbitals under spin–orbit coupling D Jiang, M Kühn, Q Tang, F Weigend The Journal of Physical Chemistry Letters 5 (19), 3286-3289, 2014 | 131 | 2014 |
| Energy barriers at grain boundaries dominate charge carrier transport in an electron-conductive organic semiconductor I Vladimirov, M Kühn, T Geßner, F May, RT Weitz Scientific reports 8 (1), 14868, 2018 | 88 | 2018 |
| Accuracy and resource estimations for quantum chemistry on a near-term quantum computer M Kühn, S Zanker, P Deglmann, M Marthaler, H Weiß Journal of chemical theory and computation 15 (9), 4764-4780, 2019 | 78 | 2019 |
| High-mobility, ultrathin organic semiconducting films realized by surface-mediated crystallization I Vladimirov, M Kellermeier, T Geßner, Z Molla, S Grigorian, U Pietsch, ... Nano letters 18 (1), 9-14, 2018 | 68 | 2018 |
| Implementation of two-component time-dependent density functional theory in TURBOMOLE M Kühn, F Weigend Journal of Chemical Theory and Computation 9 (12), 5341-5348, 2013 | 60 | 2013 |
| Red-luminescent biphosphine stabilized ‘Cu 12 S 6’cluster molecules XX Yang, I Issac, S Lebedkin, M Kühn, F Weigend, D Fenske, O Fuhr, ... Chemical Communications 50 (75), 11043-11045, 2014 | 48 | 2014 |
| Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theory M Kühn, F Weigend The Journal of chemical physics 141 (22), 2014 | 43 | 2014 |
| One-electron energies from the two-component GW method M Kühn, F Weigend Journal of Chemical Theory and Computation 11 (3), 969-979, 2015 | 33 | 2015 |
| Luminescence in Phosphine-Stabilized Copper Chalcogenide Cluster Molecules A Comparative Study A Eichhöfer, G Buth, S Lebedkin, M Kühn, F Weigend Inorganic Chemistry 54 (19), 9413-9422, 2015 | 32 | 2015 |
| Vibrational circular dichroism spectra for large molecules and molecules with heavy elements K Reiter, M Kühn, F Weigend The Journal of Chemical Physics 146 (5), 2017 | 29 | 2017 |
| Phosphorescence Energies of Organic Light‐Emitting Diodes from Spin‐Flip Tamm–Dancoff Approximation Time‐Dependent Density Functional Theory M Kühn, F Weigend ChemPhysChem 12 (17), 3331-3336, 2011 | 26 | 2011 |
| Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximation M Kühn, F Weigend The Journal of Chemical Physics 142 (3), 2015 | 24 | 2015 |
| Enhancement of and interference among higher order multipole transitions in molecules near a plasmonic nanoantenna E Rusak, J Straubel, P Gładysz, M Göddel, A Kędziorski, M Kühn, ... Nature Communications 10 (1), 5775, 2019 | 23 | 2019 |
| Electron tunneling from electronically excited states of isolated bisdisulizole-derived trianion chromophores following UV absorption MO Winghart, JP Yang, M Kühn, AN Unterreiner, TJA Wolf, PD Dau, ... Physical Chemistry Chemical Physics 15 (18), 6726-6736, 2013 | 22 | 2013 |
| Coinage Metal Complexes of Bis‐Alkynyl‐Functionalized N‐Heterocyclic Carbenes: Reactivity, Photophysical Properties, and Quantum Chemical Investigations C Kiefer, S Bestgen, MT Gamer, M Kühn, S Lebedkin, F Weigend, ... Chemistry–A European Journal 23 (7), 1591-1603, 2017 | 20 | 2017 |
| [2.2] Paracyclophanediyldiphosphane Complexes of Gold C Sarcher, A Lühl, FC Falk, S Lebedkin, M Kühn, C Wang, J Paradies, ... European Journal of Inorganic Chemistry 2012 (31), 5033-5042, 2012 | 20 | 2012 |
| Fault-tolerant quantum simulation of materials using Bloch orbitals NC Rubin, DW Berry, FD Malone, AF White, T Khattar, AE DePrince III, ... PRX Quantum 4 (4), 040303, 2023 | 17 | 2023 |
| Correlation Energies from the Two-Component Random Phase Approximation M Kühn Journal of Chemical Theory and Computation 10 (2), 623-633, 2014 | 16 | 2014 |
Wim KlopperProfessor für Theoretische Chemie, Karlsruher Institut für TechnologieVerified email at kit.edu
