| Serenity: A subsystem quantum chemistry program JP Unsleber, T Dresselhaus, K Klahr, D Schnieders, M Böckers, D Barton, ... Journal of computational chemistry 39 (13), 788-798, 2018 | 68 | 2018 |
| Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment T Dresselhaus, J Neugebauer, S Knecht, S Keller, Y Ma, M Reiher The Journal of chemical physics 142 (4), 044111, 2015 | 45 | 2015 |
| Part and whole in wavefunction/DFT embedding T Dresselhaus, J Neugebauer Theoretical Chemistry Accounts 134 (8), 97, 2015 | 36 | 2015 |
| Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7 MK Schmitt, O Janka, O Niehaus, T Dresselhaus, R Pöttgen, ... Inorganic Chemistry 56 (7), 4217-4228, 2017 | 32 | 2017 |
| Hybrid metaheuristic approach for nonlocal optimization of molecular systems T Dresselhaus, J Yang, S Kumbhar, MP Waller Journal of chemical theory and computation 9 (4), 2137-2149, 2013 | 20 | 2013 |
| Naturally and synthetically linked lys48 diubiquitin: a QM/MM study T Dresselhaus, ND Weikart, HD Mootz, MP Waller RSC Advances 3 (36), 16122-16129, 2013 | 20 | 2013 |
| Cooperative Magnetism in Crystalline N‐Aryl‐Substituted Verdazyl Radicals: First‐Principles Predictions and Experimental Results S Eusterwiemann, T Dresselhaus, C Doerenkamp, O Janka, O Niehaus, ... Chemistry-A European Journal 23 (25), 6069-6082, 2017 | 14 | 2017 |
| JACOB: an enterprise framework for computational chemistry MP Waller, T Dresselhaus, J Yang Journal of computational chemistry 34 (16), 1420-1428, 2013 | 13 | 2013 |
| Strong intermolecular antiferromagnetic verdazyl–verdazyl coupling in the solid state S Eusterwiemann, C Doerenkamp, T Dresselhaus, O Janka, ... Physical Chemistry Chemical Physics 19 (24), 15681-15685, 2017 | 11 | 2017 |
| Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies T Dresselhaus, S Eusterwiemann, DR Matuschek, CG Daniliuc, O Janka, ... Physical Chemistry Chemical Physics 18 (40), 28262-28273, 2016 | 11 | 2016 |
| Towards reliable references for electron paramagnetic resonance parameters based on quantum chemistry: the case of verdazyl radicals A Massolle, T Dresselhaus, S Eusterwiemann, C Doerenkamp, H Eckert, ... Physical Chemistry Chemical Physics 20 (11), 7661-7675, 2018 | 10 | 2018 |
| Ferro-or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals S Eusterwiemann, C Doerenkamp, T Dresselhaus, O Janka, CG Daniliuc, ... Physical Chemistry Chemical Physics 20 (35), 22902-22908, 2018 | 9 | 2018 |
