| TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ... The Journal of chemical physics 152 (18), 184107, 2020 | 967 | 2020 |
| TURBOMOLE: Today and Tomorrow YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ... Journal of Chemical Theory and Computation 19 (20), 6859-6890, 2023 | 112 | 2023 |
| Error-consistent segmented contracted all-electron relativistic basis sets of double-and triple-zeta quality for NMR shielding constants YJ Franzke, R Treß, TM Pazdera, F Weigend Physical Chemistry Chemical Physics 21 (30), 16658-16664, 2019 | 89 | 2019 |
| Efficient implementation of one-and two-component analytical energy gradients in exact two-component theory YJ Franzke, N Middendorf, F Weigend The Journal of Chemical Physics 148 (10), 104110, 2018 | 87 | 2018 |
| Substantial π-aromaticity in the anionic heavy-metal cluster [Th@Bi12]4− AR Eulenstein, YJ Franzke, N Lichtenberger, RJ Wilson, HL Deubner, ... Nature Chemistry 13 (2), 149-155, 2021 | 83 | 2021 |
| NMR shielding tensors and chemical shifts in scalar-relativistic local exact two-component theory YJ Franzke, F Weigend Journal of Chemical Theory and Computation 15 (2), 1028-1043, 2019 | 67 | 2019 |
| Assessing the accuracy of local hybrid density functional approximations for molecular response properties C Holzer, YJ Franzke, M Kehry Journal of Chemical Theory and Computation 17 (5), 2928-2947, 2021 | 63 | 2021 |
| Quasirelativistic two-component core excitations and polarisabilities from a damped-response formulation of the Bethe–Salpeter equation M Kehry, YJ Franzke, C Holzer, W Klopper Molecular Physics 118 (21-22), e1755064, 2020 | 61 | 2020 |
| Segmented contracted error-consistent basis sets of quadruple-ζ valence quality for one-and two-component relativistic all-electron calculations YJ Franzke, L Spiske, P Pollak, F Weigend Journal of Chemical Theory and Computation 16 (9), 5658-5674, 2020 | 58 | 2020 |
| φ-Aromaticity in prismatic {Bi6}-based clusters B Peerless, A Schmidt, YJ Franzke, S Dehnen Nature Chemistry 15 (3), 347-356, 2023 | 40 | 2023 |
| Low‐Valent Group 14 Phosphinidenide Complexes [({SIDipp}P)2M] Exhibit P–M pπ–pπ Interaction (M=Ge, Sn, Pb) M Balmer, YJ Franzke, F Weigend, C von Hänisch Chemistry–A European Journal 26 (1), 192-197, 2020 | 38 | 2020 |
| NMR Indirect Spin–Spin Coupling Constants in a Modern Quasi-Relativistic Density Functional Framework YJ Franzke, F Mack, F Weigend Journal of Chemical Theory and Computation 17 (7), 3974-3994, 2021 | 37 | 2021 |
| Stabilizing a metalloid {Zn12} unit within a polymetallide environment in [K2Zn20Bi16]6− AR Eulenstein, YJ Franzke, P Bügel, W Massa, F Weigend, S Dehnen Nature Communications 11 (1), 5122, 2020 | 35 | 2020 |
| NMR Coupling Constants Based on the Bethe–Salpeter Equation in the GW Approximation YJ Franzke, C Holzer, F Mack Journal of Chemical Theory and Computation 18 (2), 1030-1045, 2022 | 34 | 2022 |
| {μ‐PbSe}: A Heavy CO Homologue as an Unexpected Ligand G Thiele, Y Franzke, F Weigend, S Dehnen Angewandte Chemie International Edition 54 (38), 11283-11288, 2015 | 34* | 2015 |
| A Local Hybrid Exchange Functional Approximation from First Principles C Holzer, YJ Franzke The Journal of Chemical Physics 157 (3), 034108, 2022 | 31 | 2022 |
| Quasi-Relativistic Calculation of EPR g Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance YJ Franzke, JM Yu Journal of Chemical Theory and Computation 18 (4), 2246-2266, 2022 | 31 | 2022 |
| Paramagnetic NMR shielding tensors and ring currents: efficient implementation and application to heavy element compounds S Gillhuber, YJ Franzke, F Weigend The Journal of Physical Chemistry A 125 (44), 9707-9723, 2021 | 30 | 2021 |
| Hyperfine Coupling Constants in Local Exact Two-Component Theory YJ Franzke, JM Yu Journal of Chemical Theory and Computation 18 (1), 323-343, 2022 | 28 | 2022 |
| The Identity of “Ternary” A/Tl/Pb or K/Tl/Bi Solid Mixtures and Binary Zintl Anions Isolated From Their Solutions N Lichtenberger, YJ Franzke, W Massa, F Weigend, S Dehnen Chemistry–A European Journal 24 (46), 12022-12030, 2018 | 28 | 2018 |
Christof HolzerKarlsruher Institut für TechnologieVerifierad e-postadress på kit.edu
