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A DFT Study on Isomorphously Substituted MCM-22 Zeolite

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Skeletal Isomerization of 1-Butene on MCM-22 Zeolite Catalyst

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The Use of MCM-22 as a Cracking Zeolitic Additive for FCC

inferredcites →https://doi.org/10.1016/0009-2614(88)87018-0openalex-snapshot

Ab initio molecular orbital calculations on the acidic characteristics of isomorphously substituted zeolites

inferredcites →https://doi.org/10.1016/0009-2614(95)00583-popenalex-snapshot

Acidic properties of [Al], [Ga] and [Fe] isomorphously substituted zeolites. Density functional model cluster study of the complexes with a probe CO molecule

inferredcites →https://doi.org/10.1016/0926-860x(95)00081-xopenalex-snapshot

Catalytic cracking of alkanes on MCM-22 zeolite. Comparison with ZSM-5 and beta zeolite and its possibility as an FCC cracking additive

inferredcites →https://doi.org/10.1016/0926-860x(96)00017-8openalex-snapshot

Hydroisomerization of n-hexane over Pt—H-MCM-22

inferredcites →https://doi.org/10.1016/0927-6513(95)00013-yopenalex-snapshot

Layered structure of ERB-1 microporous borosilicate precursor and its intercalation properties towards polar molecules

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An assessment of density functional methods for studying molecular adsorption in cluster models of zeolites

inferredcites →https://doi.org/10.1016/s0166-9834(00)82273-3openalex-snapshot

Titanium silicalite-2: Synthesis, characterization and catalytic properties

inferredcites →https://doi.org/10.1016/s0920-5861(98)00025-xopenalex-snapshot

Oxidation reactions with in situ generated oxidants

inferredcites →https://doi.org/10.1016/s0920-5861(98)00054-6openalex-snapshot

Characterization of heterogeneous catalysts by X-ray diffraction techniques

inferredcites →https://doi.org/10.1016/s0926-860x(01)00797-9openalex-snapshot

Production of titanium containing molecular sieves and their application in catalysis

inferredcites →https://doi.org/10.1016/s1381-1169(01)00335-1openalex-snapshot

Theoretical studies on the properties of acid site in isomorphously substituted ZSM-5

inferredcites →https://doi.org/10.1016/s1387-1811(98)00051-1openalex-snapshot

Density functional study for estimating Brønsted acid site strength in isomorphously substituted ZSM-5

inferredcites →https://doi.org/10.1016/s1387-1811(99)00029-3openalex-snapshot

Synthesis and characterization of Fe- and [Fe,Al]-MCM-22 zeolites

inferredcites →https://doi.org/10.1021/j100041a021openalex-snapshot

Density Functional Studies of Zeolites. 2. Structure and Acidity of [T]-ZSM-5 Models (T = B, Al, Ga, and Fe)

inferredcites →https://doi.org/10.1021/j100153a047openalex-snapshot

Ab initio molecular orbital calculations of the protonation of propylene and isobutene by acidic hydroxyl groups of isomorphously substituted zeolites

inferredcites →https://doi.org/10.1021/j100198a044openalex-snapshot

Computational studies of acid sites in ZSM 5: dependence on cluster size

inferredcites →https://doi.org/10.1021/j100255a005openalex-snapshot

Isomorphous substitution in zeolite frameworks. 1. Acidity of surface hydroxyls in [B]-, [Fe]-, [Ga]-, and [Al]-ZSM-5

inferredcites →https://doi.org/10.1021/ja012336uopenalex-snapshot

Theoretical and Experimental Investigation of the Effect of Proton Transfer on the 27Al MAS NMR Line Shapes of Zeolite−Adsorbate Complexes: An Independent Measure of Solid Acid Strength

inferredcites →https://doi.org/10.1021/jp002816sopenalex-snapshot

A Novel Titanosilicate with MWW Structure. I. Hydrothermal Synthesis, Elimination of Extraframework Titanium, and Characterizations

inferredcites →https://doi.org/10.1021/jp025792topenalex-snapshot

Brønsted Acidity of Isomorphously Substituted ZSM-5 by B, Al, Ga, and Fe. Density Functional Investigations

inferredcites →https://doi.org/10.1021/jp034989yopenalex-snapshot

Study on the External Surface Acidity of MCM-22 Zeolite: Theoretical Calculation and 31P MAS NMR

inferredcites →https://doi.org/10.1021/jp960976ropenalex-snapshot

Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

inferredcites →https://doi.org/10.1021/jp983121iopenalex-snapshot

Density Functional Calculations of the 29Si and 27Al MAS NMR Spectra of the Zeolite Mazzite: Analysis of Geometrical and Electronic Effects

inferredcites →https://doi.org/10.1021/jp993636popenalex-snapshot

Preferential Siting of Bridging Hydroxyls and Their Different Acid Strengths in the Two-Channel System of MCM-22 Zeolite

inferredcites →https://doi.org/10.1039/a607769bopenalex-snapshot

Synthesis of ferrisilicate with the MCM-22 structure

inferredcites →https://doi.org/10.1039/a908598jopenalex-snapshot

Modeling of boron substitution in zeolites and implications on lattice parameters

inferredcites →https://doi.org/10.1039/c39920000745openalex-snapshot

Synthesis of titanium-containing ZSM-48

inferredcites →https://doi.org/10.1126/science.264.5167.1910openalex-snapshot

MCM-22: A Molecular Sieve with Two Independent Multidimensional Channel Systems

inferredcites →https://doi.org/10.1246/cl.2000.774openalex-snapshot

Hydrothermal Synthesis of a Novel Titanosilicate with MWW Topology

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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The Synthesis For Adamantane Derivatives of High Energy Density Fuel Catalyzed by Hy Zeolite: The Combination of Dft and Microkinetic Analysis

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Theoretical Calculations of Heteroatom Substituted Zeolites

inferred← citeshttps://doi.org/10.1002/chem.201002241openalex-snapshot

Density Functional Calculations on the Distribution, Acidity, and Catalysis of TiIV and TiIII Ions in MCM‐22 Zeolite

inferred← citeshttps://doi.org/10.1002/cphc.201301033openalex-snapshot

Framework Stability and Brønsted Acidity of Isomorphously Substituted Interlayer‐Expanded Zeolite COE‐4: A Density Functional Theory Study

inferred← citeshttps://doi.org/10.1002/cphc.202400080openalex-snapshot

Acidity of Isomorphic Substituted Zeolites with B, Al and Ga Revisited

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Molecular Modeling for Petroleum-Related Applications

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Synthesis and Properties of Zeolite Materials Guided by Periodic Considerations

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A DFT study on catalytic oxidative desulfurization with H2O2 over Ti-MWW zeolite

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Adsorption and dehydration of ethanol on isomorphously B, Al, and Ga substituted H-ZSM-5 zeolite: an embedded ONIOM study

inferred← citeshttps://doi.org/10.1007/s11705-019-1842-zopenalex-snapshot

Catalytic oxidative desulfurization of gasoline using phosphotungstic acid supported on MWW zeolite

inferred← citeshttps://doi.org/10.1016/j.catcom.2020.106171openalex-snapshot

Characterization and cracking performance of zirconium-modified Y zeolite

inferred← citeshttps://doi.org/10.1016/j.cattod.2019.05.060openalex-snapshot

Effect of acid strength on the formation mechanism of tertiary butyl carbocation in initial C4 alkylation reaction over H-BEA zeolite: A density functional theory study

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Challenges, prospects and comprehensive evolution of zeolite-based materials for the catalytic conversion of glycerol: A review

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Linking low and high temperature NO oxidation mechanisms over Brønsted acidic chabazite to dynamic changes of the active site

inferred← citeshttps://doi.org/10.1016/j.mcat.2024.114063openalex-snapshot

The synthesis for adamantane derivatives of high energy density fuel catalyzed by HY zeolite based on the DFT

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Divergent effects of Brønsted acidity on the competing ring-opening and isomerization pathways of perhydrophenanthrene: a DFT study

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Base property of high silica MFI zeolites modified with various alkyl amines

inferred← citeshttps://doi.org/10.1016/j.micromeso.2007.09.001openalex-snapshot

Structure, acidity and redox properties of MCM-22 ferrisilicate

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Comparative catalytic studies on alkylaromatics transformations over [Al]MCM-22 and boron-substituted [Al,B]MCM-22

inferred← citeshttps://doi.org/10.1016/j.micromeso.2008.12.027openalex-snapshot

Effect of Al content on phase transitions of zeolite MEL

inferred← citeshttps://doi.org/10.1016/j.micromeso.2013.03.030openalex-snapshot

Location and acidity of Brønsted acid sites in isomorphously substituted LTL zeolite: A periodic density functional study

inferred← citeshttps://doi.org/10.1016/j.micromeso.2014.04.007openalex-snapshot

Catalytic applications and FTIR investigation of zeolite SSZ-33 after isomorphous substitution

inferred← citeshttps://doi.org/10.1016/j.micromeso.2014.04.037openalex-snapshot

Density functional theory investigations into the structure and spectroscopic properties of the Ti4+ species in Ti-MWW zeolite

inferred← citeshttps://doi.org/10.1016/j.micromeso.2016.09.028openalex-snapshot

Density functional theory investigations into the structures and acidity properties of Ti-doped SSZ-13 zeolite

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Regulation of framework titanium siting in MWW-type titanosilicates by boron and aluminum incorporation and its effect on the catalytic performance

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Lewis and Brönsted acidic sites in M4+-doped zeolites (M=Ti, Zr, Ge, Sn, Pb) as well as interactions with probe molecules: A DFT study

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DFT study of the acid strength of MCM-22 with double Si/Al substitutions in 12MR supercage

inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c00117openalex-snapshot

DFT Analysis of the Binding of Rare Earth Nitrates at Internal and External Surfaces of MCM-22

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Polymethylbenzene or Alkene Cycle? Theoretical Study on Their Contribution to the Process of Methanol to Olefins over H-ZSM-5 Zeolite

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Evolution of Aromatic Species in Supercages and Its Effect on the Conversion of Methanol to Olefins over H-MCM-22 Zeolite: A Density Functional Theory Study

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Scaling Relations for Acidity and Reactivity of Zeolites

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Synthesis, Physicochemical Characterization, and Catalytic Evaluation of Fe3+-Containing SSZ-70 Zeolite

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Density Functional Theory Study of Chemical Composition Influence on the Acidity of H−MCM-22 Zeolite

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Behavior of Extraframework Fe Sites in MFI and MCM-22 Zeolites upon Interaction with N2O and NO

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The Structure, Stability, and Reactivity of Mo-oxo Species in H-ZSM5 Zeolites: Density Functional Theory Study

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Oxygen Basicity in Alkaline Cation-Exchanged Zeolite and the Effect of Isomorphous Substitution. Use of Hard Descriptors

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Water in Acid Boralites: Hydration Effects on Framework B Sites

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A Combined High-Resolution X-ray Powder Diffraction, Computational, and XPS Study of the Local Structure of Extra-Framework Copper Ions in Over-Exchanged Cu-MCM22 Zeolite

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Brønsted Sites on Acid-Treated Montmorillonite: A Theoretical Study with Probe Molecules

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Reaction mechanism of dimethyl carbonate synthesis on Cu/β zeolites: DFT and AIM investigations

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DFT investigations for the reaction mechanism of dimethyl carbonate synthesis on Pd(ii)/β zeolites

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