Frerich Keil
TitleCited byYear
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
Methanol-to-hydrocarbons: process technology
FJ Keil
Microporous and Mesoporous Materials 29 (1-2), 49-66, 1999
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), 224101, 2005
Modeling of diffusion in zeolites
FJ Keil, R Krishna, MO Coppens
Reviews in Chemical Engineering 16 (2), 71-197, 2000
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
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
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
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
Diffusion and reaction in porous networks
FJ Keil
Catalysis Today 53 (2), 245-258, 1999
Modeling of process intensification–An introduction and overview
FJ Keil
Modeling of Process Intensification, 1, 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
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
Modeling of three-dimensional pressure fields in sonochemical reactors with an inhomogeneous density distribution of cavitation bubbles: comparison of theoretical and …
S Dähnke, KM Swamy, FJ Keil
Ultrasonics sonochemistry 6 (1-2), 31-41, 1999
Theoretical investigation of benzene alkylation with ethene over H-ZSM-5
N Hansen, T Brüggemann, AT Bell, FJ Keil
The Journal of Physical Chemistry C 112 (39), 15402-15411, 2008
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
Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: a comprehensive DFT study
A Heyden, N Hansen, AT Bell, FJ Keil
The Journal of Physical Chemistry B 110 (34), 17096-17114, 2006
Methanol to olefins—prediction of the performance of a circulating fluidized-bed reactor on the basis of kinetic experiments in a fixed-bed reactor
H Schoenfelder, J Hinderer, J Werther, FJ Keil
Chemical engineering science 49 (24), 5377-5390, 1994
Kinetic modeling of nitrous oxide decomposition on Fe-ZSM-5 based on parameters obtained from first-principles calculations
A Heyden, AT Bell, FJ Keil
Journal of Catalysis 233 (1), 26-35, 2005
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