| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 643 | 2021 |
| Gold (I) complexes of tetrathiaheterohelicene phosphanes S Cauteruccio, A Loos, A Bossi, MC Blanco Jaimes, D Dova, F Rominger, ... Inorganic Chemistry 52 (14), 7995-8004, 2013 | 72 | 2013 |
| Ultrafast CSpiro–O Dissociation via a Conical Intersection Drives Spiropyran to Merocyanine Photoswitching S Prager, I Burghardt, A Dreuw The Journal of Physical Chemistry A 118 (8), 1339-1349, 2014 | 64 | 2014 |
| First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order S Prager, A Zech, F Aquilante, A Dreuw, TA Wesolowski The Journal of chemical physics 144 (20), 2016 | 39 | 2016 |
| Implementation and application of the frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator up to third order S Prager, A Zech, TA Wesolowski, A Dreuw Journal of chemical theory and computation 13 (10), 4711-4725, 2017 | 25 | 2017 |
| Benchmark of excitation energy shifts from frozen-density embedding theory: introduction of a density-overlap-based applicability threshold A Zech, N Ricardi, S Prager, A Dreuw, TA Wesolowski Journal of chemical theory and computation 14 (8), 4028-4040, 2018 | 23 | 2018 |
| Tetrathia [7] helicene phosphorus derivatives: experimental and theoretical investigations of electronic properties, and preliminary applications as organocatalysts D Dova, L Viglianti, PR Mussini, S Prager, A Dreuw, A Voituriez, ... Asian Journal of Organic Chemistry 5 (4), 537-549, 2016 | 23 | 2016 |
| Chiral thiahelicene-based alkyl phosphine–borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties D Dova, S Cauteruccio, S Prager, A Dreuw, C Graiff, E Licandro The Journal of Organic Chemistry 80 (8), 3921-3928, 2015 | 20 | 2015 |
| An unconventional helical push-pull system for solar cells D Dova, S Cauteruccio, N Manfredi, S Prager, A Dreuw, S Arnaboldi, ... Dyes and Pigments 161, 382-388, 2019 | 14 | 2019 |
| Helical push-pull systems for solar cells: Electrochemical, computational, photovoltaic and NMR data D Dova, S Cauteruccio, N Manfredi, S Prager, A Dreuw, S Arnaboldi, ... Data in brief 21, 2339-2349, 2018 | 1 | 2018 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package W Skomorowski, PR Horn, AF White, P Pokhilko, N Mardirossian, Y Mao, ... Journal of Chemical Physics, 2021 | | 2021 |
| Benchmark of excitation energy shifts from frozen-density embedding theory A Zech, N Ricardi, S Prager, A Dreuw, TA Wesolowski | | 2018 |
| Development of Frozen-Density Embedded Algebraic Diagrammatic Construction Schemes for Excited States and Quantum-Chemical Investigation of Photophysical Properties of … S Prager | | 2017 |
