DFT studies on the location and acid strength of Brönsted acid sites in MCM-22 zeolite

References

Page 1

	Year	Citations
ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(<i>t</i>-Bu)<sub>3</sub>)<sub>2</sub> + H<sub>2</sub> Oxidative Addition Mats Svensson, Stéphane Humbel, Robert D. J. Froese, The Journal of Physical Chemistry EngineeringTheoretical Inorganic ChemistryMolecular OrbitalComputational ChemistryChemistry	1996	1.9K
The performance of a family of density functional methods Benny G. Johnson, Peter M. W. Gill, John A. Pople The Journal of Chemical Physics Numerical AnalysisDft MethodsEngineeringComputational ChemistryChemistry	1993	1.9K
MCM-22: A Molecular Sieve with Two Independent Multidimensional Channel Systems M. E. Leonowicz, Jeffrey A. Lawton, Stephen L. Lawton, Science Crystal StructureEngineeringMolecular BiologyComputational ChemistryChemistry	1994	873
A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds Carlos Sosa, Jan Andzelm, Brad C. Elkin, The Journal of Physical Chemistry Materials ScienceMetal Chain CompoundEngineeringPhysicsDonut Icon	1992	757
The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for <i>n</i>-butane conformation and <i>S</i> <i>N</i>2 reaction: RCl+Cl− Stéphane Humbel, Stefan Sieber, Keiji Morokuma The Journal of Chemical Physics EngineeringTheoretical Inorganic ChemistryMolecular OrbitalComputational ChemistryChemistry	1996	668
Zeolite MCM-49: A Three-Dimensional MCM-22 Analogue Synthesized by <i>in Situ</i> Crystallization Stephen L. Lawton, A.S. Fung, Gordon J. Kennedy, The Journal of Physical Chemistry Materials ScienceInorganic ChemistryChemical EngineeringMolecular SieveEngineering	1996	302
Twelve-ring pockets on the external surface of MCM-22 crystals Stephen L. Lawton, M. E. Leonowicz, Randall D. Partridge, Microporous and Mesoporous Materials Crystal StructureCrystal MaterialPhysicsTwelve-ring PocketsCrystallography	1998	249
Structures and vibrational frequencies of the carbon molecules C2-C18 calculated by density functional theory Jürg Hutter, Hans P. Luethi, François Diederich Journal of the American Chemical Society Molecular SpectroscopyMolecular SciencesEngineeringPhysicsDonut Icon	1994	241
Selective formation of p-xylene with disproportionation of toluene over MCM-22 catalysts Peng Wu, Takayuki Komatsu, Tatsuaki Yashima Microporous and Mesoporous Materials Materials ScienceChemical EngineeringCatalytic ApplicationEngineeringPolymer Science	1998	182
IR study of ethene and propene oligomerization on H-ZSM-5: hydrogen-bonded precursor formation, initiation and propagation mechanisms and structure of the entrapped oligomers Giuseppe Spoto, Silvia Bordiga, Gabriele Ricchiardi, Journal of the Chemical Society Faraday Transactions Chemical EngineeringEngineeringPropene OligomerizationEntrapped OligomersHydrogen Bond	1994	169

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