François Hutschka

Total (France) — France

Chemistry · Physical Sciences

25h-index2.0kcitations43works0.02yr avg
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Research Topics

Zeolite Catalysis and Synthesis(23), Advanced Chemical Physics Studies(21), Catalysis and Hydrodesulfurization Studies(11), Catalysis and Oxidation Reactions(8), Organometallic Complex Synthesis and Catalysis(6)

Publications43 total

DBT derivatives adsorption over molybdenum sulfide catalysts: a theoretical study
Journal of Catalysis·2004· 108 cited
Physisorption and Chemisorption of Some <i>n</i>-Hydrocarbons at the Brønsted Acid Site in Zeolites 12-Membered Ring Main Channels:  Ab Initio Study of the Gmelinite Structure
The Journal of Physical Chemistry B·2003· 46 cited
Catalytic Conversion of Hydrocarbons in Zeolites from First Principles
ChemInform·2003
Catalytic conversion of hydrocarbons over zeolites from first principles
Computational Materials Science·2003· 10 cited
A Periodic DFT Study of Isobutene Chemisorption in Proton-Exchanged Zeolites:  Dependence of Reactivity on the Zeolite Framework Structure
The Journal of Physical Chemistry B·2003· 134 cited
Quantum study of the active sites of the γ alumina surface (II): QM/MM (LSCF) approach to water, hydrogen disulfide and carbon monoxide adsorption
Journal of Molecular Structure THEOCHEM·2003· 16 cited
Study of γ-Alumina Surface Reactivity:  Adsorption of Water and Hydrogen Sulfide on Octahedral Aluminum Sites
The Journal of Physical Chemistry B·2002· 96 cited
Extraframework Aluminum Species in Zeolites: Ab Initio Molecular Dynamics Simulation of Gmelinite
Journal of Catalysis·2002· 45 cited
Theoretical Study of the MoS<sub>2</sub> (100) Surface:  A Chemical Potential Analysis of Sulfur and Hydrogen Coverage. 2. Effect of the Total Pressure on Surface Stability
The Journal of Physical Chemistry B·2002· 129 cited
A Theoretical Study of Hydrodesulfurization and Hydrogenation of Dibenzothiophene Catalyzed by Small Zeolitic Cluster
Journal of Catalysis·2002· 33 cited
A Periodic Density Functional Theory Study of Intermolecular Isomerization of Toluene and Benzene Catalyzed by Acidic Mordenite Zeolite:  Effect of the Zeolite Steric Constraints
The Journal of Physical Chemistry B·2002· 23 cited
A Periodic Structure Density Functional Theory Study of Propylene Chemisorption in Acidic Chabazite:  Effect of Zeolite Structure Relaxation
The Journal of Physical Chemistry B·2002· 72 cited
A Periodic DFT Study of the Isomerization of Thiophenic Derivatives Catalyzed by Acidic Mordenite
Journal of Catalysis·2002· 20 cited
Catalyic conversion of hydrocarbons in zeolites from first principles
Pure and Applied Chemistry·2002· 5 citedOpen Access
Linear Hydrocarbons Adsorbed in the Acid Zeolite Gmelinite at 700 K ab Initio Molecular Dynamics Simulation of Hexane and Hexene
Journal of Catalysis·2002· 24 cited
A DFT Study of Isomerization and Transalkylation Reactions of Aromatic Species Catalyzed by Acidic Zeolites
Journal of Catalysis·2001· 61 cited
A Periodic DFT Study of Intramolecular Isomerization Reactions of Toluene and Xylenes Catalyzed by Acidic Mordenite
Journal of the American Chemical Society·2001· 121 cited
A DFT Study of the Cracking Reaction of Thiophene Activated by Small Zeolitic Clusters
Journal of Catalysis·2001· 35 cited
Adsorption of linear hydrocarbons in zeolites: A density-functional investigation
The Journal of Chemical Physics·2001· 38 cited
A Theoretical Study of the Alkylation Reaction of Toluene with Methanol Catalyzed by Acidic Mordenite
Journal of the American Chemical Society·2001· 175 cited
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Frequent Co-authors

Rutger A. van Santen(15), Xavier Rozanska(14), Ľ. Benco(12), Thomas Demuth(10), J. Häfner(8), Alain Dedieu(7), S. Clémendot(6), Sylvain Cristol(5), Jean‐François Paul(5), Daniel Bougeard(5), H. Toulhoat(5), Juergen Hafner(4), J. Hafner(4), Walter Leitner(3), E. Payen(3), Ann Vos(3), Robert A. Schoonheydt(3), Jean‐Pierre Aycard(3), Michel Rajzmann(3), Th. Demuth(3)