His primary areas of study are Density functional theory, ZSM-5, Catalysis, Decomposition and Inorganic chemistry. Frerich J. Keil has researched Density functional theory in several fields, including Ab initio quantum chemistry methods and Atomic physics. His study looks at the relationship between Ab initio quantum chemistry methods and fields such as Algorithm, as well as how they intersect with chemical problems.
His Coupled cluster research incorporates themes from Geminal, Electronic structure and Wave function. His Catalysis research is multidisciplinary, incorporating elements of Molecule, Chemical engineering and Computer simulation. His Decomposition research is multidisciplinary, relying on both Nitrous oxide and Reaction mechanism.
Frerich J. Keil mainly focuses on Catalysis, Thermodynamics, Adsorption, Molecular dynamics and Physical chemistry. His research in Catalysis intersects with topics in Inorganic chemistry, Chemical engineering and Diffusion. His study on Inorganic chemistry also encompasses disciplines like
Methanol and Methane is closely connected to Zeolite in his research, which is encompassed under the umbrella topic of Thermodynamics. His Adsorption research incorporates elements of Crystal structure, Chromatography, Molecular model, Component and Propane. His Molecular dynamics study combines topics from a wide range of disciplines, such as Chemical physics, Statistical physics, Molecule and Carbon nanotube.
Frerich J. Keil focuses on Chemical engineering, Catalysis, Thermodynamics, Molecular dynamics and Adsorption. The Catalysis study combines topics in areas such as Scientific method, Capillary condensation and Methane. His Thermodynamics research includes themes of Zeolite, Flash, Forensic engineering and Reaction mechanism.
His study looks at the intersection of Zeolite and topics like Dispersion with Density functional theory, Enthalpy, ZSM-5, Faujasite and QM/MM. Frerich J. Keil combines subjects such as Multiscale modeling, Solvation, Partition coefficient and Physical chemistry with his study of Molecular dynamics. His Adsorption study integrates concerns from other disciplines, such as Chemical physics, Selectivity and Molecule.
His primary scientific interests are in Thermodynamics, Adsorption, Molecular dynamics, Catalysis and Physical chemistry. His Thermodynamics study combines topics in areas such as Zeolite and Activation energy. His biological study spans a wide range of topics, including Molecular model, Saturation, Molecule and Olefin fiber.
His Molecular dynamics study incorporates themes from Nanoscopic scale, Nanotechnology, Lipid bilayer and Diffusion. Frerich J. Keil focuses mostly in the field of Catalysis, narrowing it down to topics relating to Waste management and, in certain cases, Chemical engineering. The concepts of his Physical chemistry study are interwoven with issues in Partition coefficient, Propanol, Anthracene and Solvation.
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Advances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann.
Physical Chemistry Chemical Physics (2006)
Efficient methods for finding transition states in chemical reactions: comparison of improved dimer method and partitioned rational function optimization method.
Andreas Heyden;Alexis T. Bell;Frerich J. Keil.
Journal of Chemical Physics (2005)
Methanol-to-hydrocarbons: process technology
Frerich J. Keil.
Microporous and Mesoporous Materials (1999)
Modeling of Diffusion in Zeolites
Frerich J. Keil;Rajamani Krishna;Marc-Olivier Coppens.
Reviews in Chemical Engineering (2000)
Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5.
Andreas Heyden;Baron Peters;and Alexis T. Bell;Frerich J. Keil.
Journal of Physical Chemistry B (2005)
Adsorption of Methane, Ethane, and Their Binary Mixtures on MCM-41: Experimental Evaluation of Methods for the Prediction of Adsorption Equilibrium
Jeong Ho Yun;Tina Düren;Frerich J. Keil;Nigel A. Seaton.
Diffusion and reaction in porous networks
Frerich J Keil.
Catalysis Today (1999)
Diffusion und chemische Reaktionen in der Gas-Feststoff-Katalyse
Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study.
Niels Hansen;Torsten Kerber;Joachim Sauer;Alexis T. Bell.
Journal of the American Chemical Society (2010)
Theoretical study of SN2 reactions. Ab initio computations on HF and CI level
Frerich Keil;Reinhart Ahlrichs.
Journal of the American Chemical Society (1976)
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