| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3094 | 2015 |
| Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 2978 | 2006 |
| A tunable azine covalent organic framework platform for visible light-induced hydrogen generation VS Vyas, F Haase, L Stegbauer, G Savasci, F Podjaski, C Ochsenfeld, ... Nature communications 6 (1), 8508, 2015 | 1036 | 2015 |
| 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 | 709 | 2021 |
| Q‐Chem 2.0: a high‐performance ab initio electronic structure program package J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ... Journal of Computational Chemistry 21 (16), 1532-1548, 2000 | 690 | 2000 |
| Linear and sublinear scaling formation of Hartree–Fock-type exchange matrices C Ochsenfeld, CA White, M Head-Gordon The Journal of chemical physics 109 (5), 1663-1669, 1998 | 416 | 1998 |
| H2 Evolution with Covalent Organic Framework Photocatalysts T Banerjee, K Gottschling, G Savasci, C Ochsenfeld, BV Lotsch ACS Energy Letters 3 (2), 400-409, 2018 | 348 | 2018 |
| Single-Site Photocatalytic H2 Evolution from Covalent Organic Frameworks with Molecular Cobaloxime Co-Catalysts T Banerjee, F Haase, G Savasci, K Gottschling, C Ochsenfeld, BV Lotsch Journal of the American Chemical Society 139 (45), 16228-16234, 2017 | 328 | 2017 |
| Exploiting noncovalent interactions in an imine-based covalent organic framework for quercetin delivery VS Vyas, M Vishwakarma, I Moudrakovski, F Haase, G Savasci, ... Adv. Mater 28 (39), 8749-8754, 2016 | 327 | 2016 |
| Sustained Solar H2 Evolution from a Thiazolo[5,4-d]thiazole-Bridged Covalent Organic Framework and Nickel-Thiolate Cluster in Water BP Biswal, HA Vignolo-González, T Banerjee, L Grunenberg, G Savasci, ... Journal of the American Chemical Society 141 (28), 11082-11092, 2019 | 269 | 2019 |
| Topochemical conversion of an imine-into a thiazole-linked covalent organic framework enabling real structure analysis F Haase, E Troschke, G Savasci, T Banerjee, V Duppel, S Dörfler, ... Nature communications 9 (1), 2600, 2018 | 258 | 2018 |
| TURBOMOLE, version 5.6 R Ahlrichs, M Bär, HP Baron, R Bauernschmitt, S Böcker, M Ehrig, ... Theoretical Chemistry Group, University of Karlsruhe, 2002 | 218 | 2002 |
| Tunable Water and CO2 Sorption Properties in Isostructural Azine-Based Covalent Organic Frameworks through Polarity Engineering L Stegbauer, MW Hahn, A Jentys, G Savasci, C Ochsenfeld, JA Lercher, ... Chemistry of Materials 27 (23), 7874-7881, 2015 | 213 | 2015 |
| Ionothermal synthesis of imide‐linked covalent organic frameworks J Maschita, T Banerjee, G Savasci, F Haase, C Ochsenfeld, BV Lotsch Angewandte Chemie International Edition 59 (36), 15750-15758, 2020 | 201 | 2020 |
| Structural insights into poly (heptazine imides): a light-storing carbon nitride material for dark photocatalysis H Schlomberg, J Kröger, G Savasci, MW Terban, S Bette, ... Chemistry of Materials 31 (18), 7478-7486, 2019 | 195 | 2019 |
| Tailor‐Made Photoconductive Pyrene‐Based Covalent Organic Frameworks for Visible‐Light Driven Hydrogen Generation L Stegbauer, S Zech, G Savasci, T Banerjee, F Podjaski, ... Advanced Energy Materials 8 (24), 1703278, 2018 | 190 | 2018 |
| Benchmarking hydrogen and carbon NMR chemical shifts at HF, DFT, and MP2 levels D Flaig, M Maurer, M Hanni, K Braunger, L Kick, M Thubauville, ... Journal of Chemical Theory and Computation 10 (2), 572-578, 2014 | 177 | 2014 |
| Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria B Doser, DS Lambrecht, J Kussmann, C Ochsenfeld The Journal of chemical physics 130 (6), 2009 | 175 | 2009 |
| Ab initio NMR spectra for molecular systems with a thousand and more atoms: A linear‐scaling method C Ochsenfeld, J Kussmann, F Koziol Angewandte Chemie 116 (34), 4585-4589, 2004 | 172 | 2004 |
| Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments: a columnar hexabenzocoronene derivative C Ochsenfeld, SP Brown, I Schnell, J Gauss, HW Spiess Journal of the American Chemical Society 123 (11), 2597-2606, 2001 | 172 | 2001 |
