D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 55 Citations 10,160 161 World Ranking 8549 National Ranking 654

Overview

What is he best known for?

The fields of study he is best known for:

  • Catalysis
  • Organic chemistry
  • Hydrogen

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.

His most cited work include:

  • Advances in methods and algorithms in a modern quantum chemistry program package (2148 citations)
  • Methanol-to-hydrocarbons: process technology (390 citations)
  • Efficient methods for finding transition states in chemical reactions: comparison of improved dimer method and partitioned rational function optimization method. (380 citations)

What are the main themes of his work throughout his whole career to date?

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

  • Decomposition, which have a strong connection to Reaction mechanism and Nitrous oxide,
  • ZSM-5, which have a strong connection to Density functional theory,
  • Ammonia and related Selective catalytic reduction.

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.

He most often published in these fields:

  • Catalysis (22.42%)
  • Thermodynamics (21.82%)
  • Adsorption (17.58%)

What were the highlights of his more recent work (between 2012-2021)?

  • Chemical engineering (12.12%)
  • Catalysis (22.42%)
  • Thermodynamics (21.82%)

In recent papers he was focusing on the following fields of study:

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.

Between 2012 and 2021, his most popular works were:

  • Exchange interactions and frustrated magnetism in single-side hydrogenated and fluorinated graphene (50 citations)
  • Transport in Nanoporous Materials Including MOFs: The Applicability of Fick's Laws. (48 citations)
  • A dynamic bifurcation criterion for thermal runaway during the flash sintering of ceramics (41 citations)

In his most recent research, the most cited papers focused on:

  • Catalysis
  • Organic chemistry
  • Hydrogen

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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)

2867 Citations

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)

676 Citations

Methanol-to-hydrocarbons: process technology

Frerich J. Keil.
Microporous and Mesoporous Materials (1999)

673 Citations

Modeling of Diffusion in Zeolites

Frerich J. Keil;Rajamani Krishna;Marc-Olivier Coppens.
Reviews in Chemical Engineering (2000)

385 Citations

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)

216 Citations

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.
Langmuir (2002)

165 Citations

Diffusion and reaction in porous networks

Frerich J Keil.
Catalysis Today (1999)

152 Citations

Diffusion und chemische Reaktionen in der Gas-Feststoff-Katalyse

Frerich Keil.
(1999)

149 Citations

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)

145 Citations

Theoretical study of SN2 reactions. Ab initio computations on HF and CI level

Frerich Keil;Reinhart Ahlrichs.
Journal of the American Chemical Society (1976)

141 Citations

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