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Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Hybrid QM/QM Simulations of Excited-State Intramolecular Proton Transfer in the Molecular Crystal 7-(2-Pyridyl)-indole
inferred← citeshttps://doi.org/10.1021/ef200705bopenalex-snapshot
Catalytic Mechanism of MCM-41 Supported Phosphoric Acid Catalyst for FCC Gasoline Desulfurization by Alkylation: Experimental and Theoretical Investigation
inferred← citeshttps://doi.org/10.1021/ie202697wopenalex-snapshot
Effect of Methanol on Catalytic Performance of HY Zeolite for Desulfurization of FCC Gasoline by Alkylation
inferred← citeshttps://doi.org/10.1021/ja102261mopenalex-snapshot
Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study
inferred← citeshttps://doi.org/10.1021/jacsau.1c00544openalex-snapshot
Mechanistic Characterization of Zeolite-Catalyzed Aromatic Electrophilic Substitution at Realistic Operating Conditions
inferred← citeshttps://doi.org/10.1021/jp103247fopenalex-snapshot
New Insights into the Effects of Acid Strength on the Solid Acid-Catalyzed Reaction: Theoretical Calculation Study of Olefinic Hydrocarbon Protonation Reaction
inferred← citeshttps://doi.org/10.1021/jp108566copenalex-snapshot
Structures and Energetics of the Methylation of 2-Methylnaphthalene with Methanol over H-BEA Zeolite
inferred← citeshttps://doi.org/10.1021/jp1097316openalex-snapshot
Theoretical Investigation of the Effects of the Zeolite Framework on the Stability of Carbenium Ions
inferred← citeshttps://doi.org/10.1021/jp202104uopenalex-snapshot
μSR Studies of Hyperfine Couplings and Molecular Interactions of the Mu-Cyclohexadienyl Radical in Y-Zeolites and in Solid Bulk Benzene
inferred← citeshttps://doi.org/10.1021/jp207683popenalex-snapshot
Skeletal Isomerization of Butene in Ferrierite: Assessing the Energetic and Structural Differences between Carbenium and Alkoxide Based Pathways
inferred← citeshttps://doi.org/10.1021/jp300548popenalex-snapshot
Density Functional Theory Study of Mechanism of N2O Decomposition over Cu-ZSM-5 Zeolites
inferred← citeshttps://doi.org/10.1021/jp307558uopenalex-snapshot
Combined Density Functional Theory and Monte Carlo Analysis of Monomolecular Cracking of Light Alkanes Over H-ZSM-5
inferred← citeshttps://doi.org/10.1021/jp3122243openalex-snapshot
HCl Adsorption on Copper-Modified ZSM-5: FTIR and DFT Study
inferred← citeshttps://doi.org/10.1021/jp505002uopenalex-snapshot
Density Functional Theory Study of the Dehydrogenation of Ethanol to Acetaldehyde over the Au-Exchanged ZSM-5 Zeolite: Effect of Surface Oxygen
inferred← citeshttps://doi.org/10.1021/jp8073046openalex-snapshot
Analysis of Diffusion Limitation in the Alkylation of Benzene over H-ZSM-5 by Combining Quantum Chemical Calculations, Molecular Simulations, and a Continuum Approach
inferred← citeshttps://doi.org/10.1021/jp911732popenalex-snapshot
Effect of the Zeolite Nanocavity on the Reaction Mechanism of n-Hexane Cracking: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1038/s41570-019-0084-4openalex-snapshot
Chemistries and processes for the conversion of ethanol into middle-distillate fuels
inferred← citeshttps://doi.org/10.1038/s41929-017-0015-zopenalex-snapshot
Solvent-determined mechanistic pathways in zeolite-H-BEA-catalysed phenol alkylation
inferred← citeshttps://doi.org/10.1039/9781837073221-00260openalex-snapshot
Aromatic alkylation on acidic zeolites: toward improved reactivity, stability and selectivity
inferred← citeshttps://doi.org/10.1039/b914699gopenalex-snapshot
A DFT periodic study on the interaction between O 2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet–singlet energy gap
inferred← citeshttps://doi.org/10.1039/c4cy01205dopenalex-snapshot
A density functional theory study on ethylene formation and conversion over P modified ZSM-5
inferred← citeshttps://doi.org/10.1039/c5cy02271aopenalex-snapshot
Zeolite-catalysed C–C bond forming reactions for biomass conversion to fuels and chemicals
inferred← citeshttps://doi.org/10.1039/c6cy00467aopenalex-snapshot
Mechanism of alkane H/D exchange over zeolite H-ZSM-5 at low temperature: a combined computational and experimental study
inferred← citeshttps://doi.org/10.1039/c6ra24631aopenalex-snapshot
Adsorption and decarbonylation of furfural over H-ZSM-5 zeolite: a DFT study
inferred← citeshttps://doi.org/10.1039/c7cy01639eopenalex-snapshot
Location, distribution and acidity of Al substitution in ZSM-5 with different Si/Al ratios – a periodic DFT computation
inferred← citeshttps://doi.org/10.1039/c9ra05420kopenalex-snapshot
Enhanced production of aromatics from propane with a temperature-shifting two-stage fluidized bed reactor
inferred← citeshttps://doi.org/10.1039/d1cs00966dopenalex-snapshot
Carbocation chemistry confined in zeolites: spectroscopic and theoretical characterizations
inferred← citeshttps://doi.org/10.1039/d4cy00532eopenalex-snapshot
Mechanistic origins for the enhanced ethanol dehydration kinetics in H-ZSM-5 by cofeeding n -butanol
inferred← citeshttps://doi.org/10.1063/1.4807384openalex-snapshot
Isolated catalyst sites on amorphous supports: A systematic algorithm for understanding heterogeneities in structure and reactivity
inferred← citeshttps://doi.org/10.1080/1539445x.2011.599708openalex-snapshot
Multiscale Modeling of Reaction and Diffusion in Zeolites: From the Molecular Level to the Reactor
inferred← citeshttps://doi.org/10.1134/s0965544117050048openalex-snapshot
Quantum-chemical simulation of the benzene alkylation reaction with ethane on H-ZSM-5 catalyst
inferred← citeshttps://doi.org/10.1134/s1070427225050039openalex-snapshot
Kinetic Analysis of Monomolecular Cracking of Normal Alkanes (C4–C6) over Brønsted Acid Site of Zeolitic Type Catalyst with Energetic Evaluation of Transition States Using Quantum-Chemical Modeling
inferred← citeshttps://doi.org/10.1146/annurev-chembioeng-061010-114108openalex-snapshot
Quantum Mechanical Modeling of Catalytic Processes
inferred← citeshttps://doi.org/10.23919/acc60939.2024.10644230openalex-snapshot
Distributed Model Predictive Control of Integrated Process Networks Based on an Adaptive Community Detection Approach
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-bfn69openalex-snapshot
Direct synthesis of aromatics of jet fuel by integrating CO2-FTS and toluene alkylation reaction
inferred← citeshttps://doi.org/10.3390/catal10060646openalex-snapshot
DFT Study on Mechanisms of the N2O Direct Catalytic Decomposition over Cu-ZSM-5: The Detailed Investigation on NO Formation Mechanism
inferred← citeshttps://doi.org/10.3866/pku.whxb201612162openalex-snapshot
Reaction Mechanism of Benzene Methylation with Methanol over H-ZSM-5 Catalyst
inferred← citeshttps://doi.org/10.4018/978-1-5225-8033-1.ch001openalex-snapshot
Catalysis in Alkylation of Benzene With Ethene and Propene to Produce Ethylbenzene and Isopropylbenzene
inferred← citeshttps://doi.org/10.4028/www.scientific.net/amr.884-885.204openalex-snapshot
Effects of Different Zeolite Cluster Model on the Simulation of Benzene Adsorption by ONIOM3 Method
inferred← citeshttps://doi.org/10.58088/z3tc-qz08openalex-snapshot
Experimental and computational analysis of acid catalysts for biomass conversion
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