| 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), 2020 | 967 | 2020 |
| Molybdenum (VI) dioxo complexes employing Schiff base ligands with an intramolecular donor for highly selective olefin epoxidation ME Judmaier, C Holzer, M Volpe, NC Mösch-Zanetti Inorganic Chemistry 51 (18), 9956-9966, 2012 | 113 | 2012 |
| 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 |
| Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe–Salpeter Formalism X Gui, C Holzer, W Klopper Journal of Chemical Theory and Computation 14 (4), 2127-2136, 2018 | 104 | 2018 |
| Ionized, electron-attached, and excited states of molecular systems with spin–orbit coupling: Two-component GW and Bethe–Salpeter implementations C Holzer, W Klopper The Journal of Chemical Physics 150 (20), 2019 | 77 | 2019 |
| An improved seminumerical Coulomb and exchange algorithm for properties and excited states in modern density functional theory C Holzer The Journal of Chemical Physics 153 (18), 2020 | 76 | 2020 |
| Experimental and theoretical determination of dissociation energies of dispersion-dominated aromatic molecular complexes JA Frey, C Holzer, W Klopper, S Leutwyler Chemical reviews 116 (9), 5614-5641, 2016 | 75 | 2016 |
| 18-Crown-6 coordinated metal halides with bright luminescence and nonlinear optical effects E Merzlyakova, S Wolf, S Lebedkin, L Bayarjargal, BL Neumeier, ... Journal of the American Chemical Society 143 (2), 798-804, 2021 | 65 | 2021 |
| 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 |
| The furan microsolvation blind challenge for quantum chemical methods: First steps HC Gottschalk, A Poblotzki, MA Suhm, MM Al-Mogren, J Antony, AA Auer, ... The Journal of Chemical Physics 148 (1), 2018 | 53 | 2018 |
| Communication: A hybrid Bethe–Salpeter/time-dependent density-functional-theory approach for excitation energies C Holzer, W Klopper The Journal of Chemical Physics 149 (10), 2018 | 39 | 2018 |
| The first microsolvation step for furans: New experiments and benchmarking strategies HC Gottschalk, A Poblotzki, M Fatima, DA Obenchain, C Pérez, J Antony, ... The Journal of Chemical Physics 152 (16), 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 |
| Boosting light emission from single hydrogen phthalocyanine molecules by charging V Rai, L Gerhard, Q Sun, C Holzer, T Repän, M Krstić, L Yang, ... Nano letters 20 (10), 7600-7605, 2020 | 32 | 2020 |
| GW quasiparticle energies of atoms in strong magnetic fields C Holzer, AM Teale, F Hampe, S Stopkowicz, T Helgaker, W Klopper The Journal of Chemical Physics 150 (21), 2019 | 32 | 2019 |
| A local hybrid exchange functional approximation from first principles C Holzer, YJ Franzke The Journal of Chemical Physics 157 (3), 2022 | 31 | 2022 |
| Bethe–Salpeter correlation energies of atoms and molecules C Holzer, X Gui, ME Harding, G Kresse, T Helgaker, W Klopper The Journal of chemical physics 149 (14), 2018 | 31 | 2018 |
| Accurate dissociation energies of two isomers of the 1-naphthol⋅ cyclopropane complex S Maity, R Knochenmuss, C Holzer, G Féraud, J Frey, W Klopper, ... The Journal of chemical physics 145 (16), 2016 | 29 | 2016 |
| Communication: Symmetry-adapted perturbation theory with intermolecular induction and dispersion energies from the Bethe–Salpeter equation C Holzer, W Klopper The Journal of Chemical Physics 147 (18), 2017 | 28 | 2017 |
Wim KlopperProfessor für Theoretische Chemie, Karlsruher Institut für TechnologieAdresse e-mail validée de kit.edu