Frerich Keil
Frerich Keil
Professor of Chemical Engineering , Hamburg University of Technology
Verified email at - Homepage
Cited by
Cited by
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
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
Methanol-to-hydrocarbons: process technology
FJ Keil
Microporous and mesoporous materials 29 (1-2), 49-66, 1999
Modeling of diffusion in zeolites
FJ Keil, R Krishna, MO Coppens
Reviews in Chemical Engineering 16 (2), 71-197, 2000
PNO-CI and CEPA-PNO calculations of molecular systems
R Ahlrichs, F Keil, H Lischka
J. Chem. Phys. 63 (1), 455-463, 1975
Process intensification
FJ Keil
Reviews in Chemical Engineering 34 (2), 135-200, 2018
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
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
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
Modeling of process intensification–An introduction and overview
FJ Keil
Modeling of Process Intensification, 1-7, 2007
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
Diffusion and reaction in porous networks
FJ Keil
Catalysis Today 53 (2), 245-258, 1999
Diffusion und Chemische Reaktionen in der Gas/Feststoff-Katalyse
F Keil
Springer-Verlag, 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
H. Lischka, W. Kutzelnigg and V. Staemmler, 1
R Ahlrichs, F Keil
Chem. Phys 63, 455, 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
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
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
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
Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective
AN Rudenko, FJ Keil, MI Katsnelson, AI Lichtenstein
Physical Review B 86 (7), 075422, 2012
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