| 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 | 3007 | 2006 |
| Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method A Heyden, AT Bell, FJ Keil The Journal of chemical physics 123 (22), 2005 | 926 | 2005 |
| Methanol-to-hydrocarbons: process technology FJ Keil Microporous and mesoporous materials 29 (1-2), 49-66, 1999 | 754 | 1999 |
| Modeling of diffusion in zeolites FJ Keil, R Krishna, MO Coppens Reviews in Chemical Engineering 16 (2), 71-197, 2000 | 407 | 2000 |
| PNO-CI and CEPA-PNO calculations of molecular systems R Ahlrichs, F Keil, H Lischka J. Chem. Phys. 63 (1), 455-463, 1975 | 274 | 1975 |
| Process intensification FJ Keil Reviews in Chemical Engineering 34 (2), 135-200, 2018 | 255 | 2018 |
| Recent advances in CO2 hydrogenation to value-added products—Current challenges and future directions S Saeidi, S Najari, V Hessel, K Wilson, FJ Keil, P Concepción, SL Suib, ... Progress in Energy and Combustion Science 85, 100905, 2021 | 219 | 2021 |
| Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5 A Heyden, B Peters, AT Bell, FJ Keil The Journal of Physical Chemistry B 109 (5), 1857-1873, 2005 | 216 | 2005 |
| Modeling of process intensification–An introduction and overview FJ Keil Modeling of Process Intensification, 1-7, 2007 | 182 | 2007 |
| Adsorption of methane, ethane, and their binary mixtures on MCM-41: experimental evaluation of methods for the prediction of adsorption equilibrium JH Yun, T Düren, FJ Keil, NA Seaton Langmuir 18 (7), 2693-2701, 2002 | 182 | 2002 |
| Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2: DFT study N Hansen, T Kerber, J Sauer, AT Bell, FJ Keil Journal of the American Chemical Society 132 (33), 11525-11538, 2010 | 172 | 2010 |
| Diffusion and reaction in porous networks FJ Keil Catalysis Today 53 (2), 245-258, 1999 | 164 | 1999 |
| Diffusion und Chemische Reaktionen in der Gas/Feststoff-Katalyse F Keil Springer-Verlag, 2013 | 158 | 2013 |
| Understanding the loading dependence of self-diffusion in carbon nanotubes S Jakobtorweihen, MG Verbeek, CP Lowe, FJ Keil, B Smit Physical review letters 95 (4), 044501, 2005 | 148 | 2005 |
| H. Lischka, W. Kutzelnigg and V. Staemmler, 1 R Ahlrichs, F Keil Chem. Phys 63, 455, 1975 | 144 | 1975 |
| Theoretical study of SN2 reactions. Ab initio computations on HF and CI level F Keil, R Ahlrichs Journal of the American Chemical Society 98 (16), 4787-4793, 1976 | 128 | 1976 |
| Transport in nanoporous materials including MOFs: the applicability of Fick’s laws T Titze, A Lauerer, L Heinke, C Chmelik, NER Zimmermann, FJ Keil, ... Angewandte Chemie International Edition 54 (48), 14580-14583, 2015 | 115 | 2015 |
| Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids BC Bukowski, FJ Keil, PI Ravikovitch, G Sastre, RQ Snurr, MO Coppens Adsorption 27 (5), 683-760, 2021 | 112 | 2021 |
| Catalytic oxidation of 1, 2-dichlorobenzene over ABO3-type perovskites K Poplawski, J Lichtenberger, FJ Keil, K Schnitzlein, MD Amiridis Catalysis today 62 (4), 329-336, 2000 | 112 | 2000 |
| Analysis of diffusion limitation in the alkylation of benzene over H-ZSM-5 by combining quantum chemical calculations, molecular simulations, and a continuum approach N Hansen, R Krishna, JM Van Baten, AT Bell, FJ Keil The Journal of Physical Chemistry C 113 (1), 235-246, 2009 | 104 | 2009 |
