On the public citation graph
Cracking of Hydrocarbons on Zeolite Catalysts: Density Functional and Hartree−Fock Calculations on the Mechanism of the β-Scission Reaction
0 signed · 141 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199703)18:4<463::aid-jcc2>3.0.co;2-ropenalex-snapshot
Combiningab initio techniques with analytical potential functions for structure predictions of large systems: Method and application to crystalline silica polymorphs
inferredcites →https://doi.org/10.1006/jcat.1994.1020openalex-snapshot
The Role of Reaction Temperature and Cracking Catalyst Characteristics in Determining the Relative Rates of Protolytic Cracking, Chain Propagation, and Hydrogen Transfer
inferredcites →https://doi.org/10.1006/jcat.1995.1107openalex-snapshot
Isobutane Cracking over Y-Zeolites
inferredcites →https://doi.org/10.1006/jcat.1995.1111openalex-snapshot
A Theoretical Description for the Monomolecular Cracking of C-C Bonds over Acidic Zeolites
inferredcites →https://doi.org/10.1006/jcat.1995.1254openalex-snapshot
Ab Initio SCF-Mo Study of the Chemisorption of Methane on Al and La Oxide Surfaces
inferredcites →https://doi.org/10.1006/jcat.1995.1304openalex-snapshot
Monomolecular Conversion of Light Alkanes over H-ZSM-5
inferredcites →https://doi.org/10.1006/jcat.1996.0027openalex-snapshot
Mechanistic Considerations in Acid-Catalyzed Cracking of Olefins
inferredcites →https://doi.org/10.1006/jcat.1997.1574openalex-snapshot
Mechanisms of Hydrocarbon Conversion in Zeolites: A Quantum Mechanical Study
inferredcites →https://doi.org/10.1007/bf00764193openalex-snapshot
Quantum chemical studies of ethylene interaction with zeolite OH-groups
inferredcites →https://doi.org/10.1007/bf00807450openalex-snapshot
Selective oxidation of methane by dinitrogen monoxide on FeZSM-5 zeolites. Ab initio quantum chemical analysis
inferredcites →https://doi.org/10.1007/bf00813921openalex-snapshot
A quantum-chemical study of adsorbed nonclassical carbonium ions as active intermediates in catalytic transformations of paraffins. I. Protolytic cracking of ethane on high silica zeolites
inferredcites →https://doi.org/10.1016/0009-2614(95)01149-3openalex-snapshot
The mechanism of alkane activation over zeolite Brønsted acid sites. A density-functional study
inferredcites →https://doi.org/10.1016/0021-9517(88)90307-7openalex-snapshot
The mechanism of neopentane cracking over solid acids
inferredcites →https://doi.org/10.1016/0021-9517(89)90139-5openalex-snapshot
Quantum chemical study of the electronic structure and geometry of surface alkoxy groups as probable active intermediates of heterogeneous acidic catalysts: What are the adsorbed carbenium ions?
inferredcites →https://doi.org/10.1016/0021-9517(92)90273-kopenalex-snapshot
Monomolecular and bimolecular mechanisms of paraffin cracking: n-butane cracking catalyzed by HZSM-5
inferredcites →https://doi.org/10.1016/0166-1280(88)80248-3openalex-snapshot
Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure
inferredcites →https://doi.org/10.1016/0166-1280(94)03902-wopenalex-snapshot
The structural and chemical influences on catalytic properties of zeolite clusters
inferredcites →https://doi.org/10.1016/0166-1280(94)80203-3openalex-snapshot
Ab initio study of methanol sorption and proton transfer on a zeolite acid site model
inferredcites →https://doi.org/10.1016/0166-9834(83)80058-xopenalex-snapshot
Isomerization and hydrocracking of C9 through C16 n-alkanes on Pt/HZSM-5 zeolite
inferredcites →https://doi.org/10.1016/0166-9834(86)80020-3openalex-snapshot
Attempts to rationalize the distribution of hydrocracked products. I qualitative description of the primary hydrocracking modes of long chain paraffins in open zeolites
inferredcites →https://doi.org/10.1016/0166-9834(86)80021-5openalex-snapshot
Attempts to rationalize the distribution of hydrocracked products. II. Relative rates of primary hydrocracking modes of long chain paraffins in open zeolites
inferredcites →https://doi.org/10.1016/0304-5102(91)80049-9openalex-snapshot
Rates of isobutane cracking catalysed by HZSM-5: The carbonium ion route
inferredcites →https://doi.org/10.1016/0926-860x(96)00060-9openalex-snapshot
Quantumchemical study of the isobutane cracking on zeolites
inferredcites →https://doi.org/10.1016/s0167-2991(08)63613-7openalex-snapshot
Chapter 15 Hydrocarbon Processing with Zeolites
inferredcites →https://doi.org/10.1016/s1381-1169(96)00497-9openalex-snapshot
Combining ab initio techniques with analytical potential functions. A study of zeolite-adsorbate interactions for NH3 on H-faujasite
inferredcites →https://doi.org/10.1021/ar00012a004openalex-snapshot
The nature of adsorbed carbenium ions as active intermediates in catalysis by solid acids
inferredcites →https://doi.org/10.1021/ar950105kopenalex-snapshot
Physical Organic Chemistry of Solid Acids: Lessons from in Situ NMR and Theoretical Chemistry
inferredcites →https://doi.org/10.1021/cr00031a014openalex-snapshot
Theoretical Study of van der Waals Complexes at Surface Sites in Comparison with the Experiment
inferredcites →https://doi.org/10.1021/cr00035a008openalex-snapshot
Reactivity Theory of Zeolitic Broensted Acidic Sites
inferredcites →https://doi.org/10.1021/i300008a008openalex-snapshot
Isomerization of long-chain n-alkanes on a Pt/CaY zeolite catalyst
inferredcites →https://doi.org/10.1021/ie00008a008openalex-snapshot
Acid-catalyzed cracking of paraffinic hydrocarbons. 1. Discussion of existing mechanisms and proposal of a new mechanism
inferredcites →https://doi.org/10.1021/j100033a015openalex-snapshot
Study of the Activity of Ga-ZSM-5 in the de-NOx Process by a Combination of Quantum Chemistry, Molecular Dynamics, and Computer Graphics Methods
inferredcites →https://doi.org/10.1021/j100151a024openalex-snapshot
Ab initio molecular orbital cluster studies of the zeolite ZSM-5. 1. Proton affinities
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/ja00111a014openalex-snapshot
An ab Initio Study of D/H Exchange between CD4 and the H-Forms of Zeolites FAU and MFI
inferredcites →https://doi.org/10.1021/ja00118a014openalex-snapshot
Interaction of methanol with Broensted acid sites of zeolite catalysts: an ab initio study
inferredcites →https://doi.org/10.1021/ja00151a031openalex-snapshot
Kinetic NMR and Density Functional Study of Benzene H/D Exchange in Zeolites, the Most Simple Aromatic Substitution
inferredcites →https://doi.org/10.1021/ja00185a009openalex-snapshot
Carbon-13 NMR identification of intermediates formed by 2-methyl-2-propanol adsorption in H-ZSM-5
inferredcites →https://doi.org/10.1021/ja00188a016openalex-snapshot
Reactions of propene on zeolite HY catalyst studied by in situ variable temperature solid-state nuclear magnetic resonance spectroscopy
inferredcites →https://doi.org/10.1021/ja954323kopenalex-snapshot
The Mechanism of Dimethyl Ether Formation from Methanol Catalyzed by Zeolitic Protons
inferredcites →https://doi.org/10.1021/jp951290mopenalex-snapshot
Structure and Vibrational Features of Complexes between Unsaturated Hydrocarbons and Acidic Sites in Silica and Zeolites: An ab Initio Study
inferredcites →https://doi.org/10.1021/jp951408zopenalex-snapshot
Calculation of the Reaction of Ethylene, Propene, and Acetylene on Zeolite Models
inferredcites →https://doi.org/10.1021/jp951762xopenalex-snapshot
Application of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR3)2 + H2 (R = H, Me, t-Bu, and Ph)
inferredcites →https://doi.org/10.1021/jp952280oopenalex-snapshot
Theoretical Studies of Carbocations Adsorbed over a Large Zeolite Cluster. Implications on Hydride Transfer Reactions
inferredcites →https://doi.org/10.1021/jp9523231openalex-snapshot
Activation of C−H and C−C Bonds by an Acidic Zeolite: A Density Functional Study
inferredcites →https://doi.org/10.1021/jp952775dopenalex-snapshot
Interaction of Water with Brønsted Acidic Sites of Zeolite Catalysts. Ab Initio Study of 1:1 and 2:1 Surface Complexes
inferredcites →https://doi.org/10.1021/jp952864qopenalex-snapshot
Toward an Understanding of Zeolite Y as a Cracking Catalyst with the Use of Periodic Charge Equilibration
inferredcites →https://doi.org/10.1021/jp960365zopenalex-snapshot
Methanol Adsorption in ZeolitesA First-Principles Study
inferredcites →https://doi.org/10.1021/jp962006+openalex-snapshot
Theoretical Study of the Mechanism of Surface Methoxy and Dimethyl Ether Formation from Methanol Catalyzed by Zeolitic Protons
inferredcites →https://doi.org/10.1021/jp9629203openalex-snapshot
Generation of Carbenes during Methanol Conversion over Brönsted Acidic Aluminosilicates. A Computational Study
inferredcites →https://doi.org/10.1021/jp963019qopenalex-snapshot
IMOMO(G2MS): A New High-Level G2-Like Method for Large Molecules and Its Applications to Diels−Alder Reactions
inferredcites →https://doi.org/10.1021/jp9639509openalex-snapshot
In Situ Study of Reactive Intermediates of Methanol in Zeolites from First Principles Calculations
inferredcites →https://doi.org/10.1023/a:1019123818998openalex-snapshot
Quantum chemical studies of zeolite proton catalyzed reactions
inferredcites →https://doi.org/10.1038/363529a0openalex-snapshot
Understanding the acid behaviour of zeolites from theory and experiment
inferredcites →https://doi.org/10.1039/a606198bopenalex-snapshot
Density functional theory calculations of adsorption and reactivity of methanol at alumino-silicate Brønsted acid centres
inferredcites →https://doi.org/10.1063/1.464304openalex-snapshot
A new mixing of Hartree–Fock and local density-functional theories
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.469685openalex-snapshot
Density functional theory calculations of the reaction pathway for methane activation on a gallium site in metal exchanged ZSM-5
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4646219openalex-extracted
Kinetic Analysis of Monomolecular Cracking of Normal Alkanes (C4-6) Over Brønsted Acid Site of Zeolitic Type Catalyst with Evaluation of Transition State Based on Quantum-Chemical Modeling
inferred← citeshttps://doi.org/10.1002/1521-3765(20010316)7:6<1295::aid-chem1295>3.0.co;2-sopenalex-snapshot
Cluster and Periodic Calculations of the Ethene Protonation Reaction Catalyzed by theta-1 Zeolite: Influence of Method, Model Size, and Structural Constraints
inferred← citeshttps://doi.org/10.1002/9781118016466.ch6openalex-snapshot
Reactions Involving Hypercarbon Intermediates
inferred← citeshttps://doi.org/10.1002/cben.70021openalex-snapshot
Recent Advances in Catalyst Development for Enhanced p ‐Xylene Production via Toluene Methylation
inferred← citeshttps://doi.org/10.1002/qua.24811openalex-snapshot
Application of quantum calculations in the chemical industry—An overview
inferred← citeshttps://doi.org/10.1007/0-306-47667-3_4openalex-snapshot
Ab Initio Simulations of Zeolite Reactivity
inferred← citeshttps://doi.org/10.1007/1-4020-2117-8_5openalex-snapshot
Quantum-Chemical Studies of Molecular Reactivity in Nanoporous Materials
inferred← citeshttps://doi.org/10.1007/s00894-008-0435-4openalex-snapshot
Theoretical investigation of tautomerism in N-hydroxy amidines
inferred← citeshttps://doi.org/10.1016/b0-08-043152-6/01785-xopenalex-snapshot
Zeolites, Computer Modeling of
inferred← citeshttps://doi.org/10.1016/b978-0-12-803581-8.03646-8openalex-snapshot
Computer Modeling of Zeolites
inferred← citeshttps://doi.org/10.1016/j.apcata.2005.06.016openalex-snapshot
Deactivating effect of quinoline during the methylcyclohexane transformation over H-USY zeolite
inferred← citeshttps://doi.org/10.1016/j.apcata.2013.01.013openalex-snapshot
Theoretical study on the cracking reaction catalyzed by a solid acid with zeolitic structure: The catalytic cracking of 1-hexene on the surface of H-ZSM-5
inferred← citeshttps://doi.org/10.1016/j.apcata.2019.117135openalex-snapshot
Insights into the reaction pathway of n-butane conversion over HZSM-5 zeolite at low temperature
inferred← citeshttps://doi.org/10.1016/j.apcata.2023.119389openalex-snapshot
The effect of acid strength on the mechanism of catalytic pyrolysis reaction of n-hexane in ZSM5: A DFT study
inferred← citeshttps://doi.org/10.1016/j.cattod.2006.02.079openalex-snapshot
A quantum chemical study of tertiary carbenium ions in acid catalyzed hydrocarbon conversions over phosphotungstic acid
inferred← citeshttps://doi.org/10.1016/j.cattod.2018.06.009openalex-snapshot
Shape selectivity in acidic zeolite catalyzed 2-pentene skeletal isomerization from first principles
inferred← citeshttps://doi.org/10.1016/j.cej.2017.10.001openalex-snapshot
Catalytic cracking of n-hexane for producing light olefins on 3D-printed monoliths of MFI and FAU zeolites
inferred← citeshttps://doi.org/10.1016/j.cej.2024.152501openalex-snapshot
Surface Reactive Oxygen in Ni/Cexzr1-Xo2 Catalysts May Impede the Ch4/Co2 Reforming Activity by Stabilizing Small Ni Species
inferred← citeshttps://doi.org/10.1016/j.fuel.2024.133032openalex-snapshot
Investigating the activation mechanism for efficient catalyst design in the catalytic pyrolysis of hexane: A DFT-based microkinetics and experiments
inferred← citeshttps://doi.org/10.1016/j.jcat.2004.12.016openalex-snapshot
Embedded cluster (QM/MM) investigation of C6 diene cyclization in HZSM-5
inferred← citeshttps://doi.org/10.1016/j.jcat.2006.08.013openalex-snapshot
A density functional theory study of the alkylation of isobutane with butene over phosphotungstic acid
inferred← citeshttps://doi.org/10.1016/j.jcat.2010.02.001openalex-snapshot
Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion
inferred← citeshttps://doi.org/10.1016/j.jcat.2015.02.012openalex-snapshot
Revisiting carbenium chemistry on amorphous silica-alumina: Unraveling their milder acidity as compared to zeolites
inferred← citeshttps://doi.org/10.1016/j.jcat.2016.11.010openalex-snapshot
Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
inferred← citeshttps://doi.org/10.1016/j.jcat.2020.10.018openalex-snapshot
Promoting effect of Fe on supported Ni catalysts in CO2 methanation by in situ DRIFTS and DFT study
inferred← citeshttps://doi.org/10.1016/j.jfueco.2024.100116openalex-snapshot
RETRACTED: Kinetic analysis of monomolecular cracking of normal Alkanes (C4C6) over Brønsted Acid site of Zeolitic type catalyst with energetic evaluation of transition states using Quantum-Chemical modeling
inferred← citeshttps://doi.org/10.1016/j.micromeso.2012.07.002openalex-snapshot
Methane aromatisation based upon elementary steps: Kinetic and catalyst descriptors
inferred← citeshttps://doi.org/10.1016/j.micromeso.2012.12.005openalex-snapshot
Applicability of protolytic mechanism to steady-state heterogeneous dehydrogenation of ethane revisited
inferred← citeshttps://doi.org/10.1016/j.molcata.2004.11.009openalex-snapshot
An ab initio study of ethane conversion reactions on zeolites using the complete basis set composite energy method
inferred← citeshttps://doi.org/10.1016/j.molcata.2005.07.029openalex-snapshot
A computational study of alkane hydrogen-exchange reactions on zeolites
inferred← citeshttps://doi.org/10.1016/j.molcata.2005.10.009openalex-snapshot
A computational study of methane catalytic reactions on zeolites
inferred← citeshttps://doi.org/10.1016/j.molcata.2006.03.068openalex-snapshot
Activation of C2–C4 alkanes over acid and bifunctional zeolite catalysts
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2023.105740openalex-snapshot
Study on the effect of physical structure and chemical modification of molecular sieve on the adsorption properties of C4F7N and its decomposition products
inferred← citeshttps://doi.org/10.1016/j.susc.2007.04.133openalex-snapshot
Thermal stability of alkoxy monolayers grafted on Si(111)
inferred← citeshttps://doi.org/10.1016/j.susc.2025.122855openalex-snapshot
Surface-dependent CO2 and CO activation on iron and iron carbides: Insights from density functional theory
inferred← citeshttps://doi.org/10.1016/s0167-2991(01)82308-9openalex-snapshot
Defect Structure and Acid Catalysis of High Silica, FAU-Framework Zeolites: Effects of Aluminum Removal and of Basic Metal Oxide Addition
inferred← citeshttps://doi.org/10.1016/s0920-5861(98)00486-6openalex-snapshot
Theoretical studies of pentene cracking on zeolites: C–C β-scission processes
inferred← citeshttps://doi.org/10.1016/s0926-860x(00)00495-6openalex-snapshot
Evidence of different reaction mechanisms during the cracking of n-hexane on H-USY zeolite
inferred← citeshttps://doi.org/10.1021/acs.chemrev.2c00896openalex-snapshot
Molecular Views on Mechanisms of Brønsted Acid-Catalyzed Reactions in Zeolites
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.6c01995openalex-snapshot
Activity–Stability Relationships of Al2O3-Supported Ni Bimetallic Catalysts: Insights into Carbon Speciation for Dry Reforming of Methane
inferred← citeshttps://doi.org/10.1021/acscatal.8b01779openalex-snapshot
How Chain Length and Branching Influence the Alkene Cracking Reactivity on H-ZSM-5
inferred← citeshttps://doi.org/10.1021/acscatal.9b02856openalex-snapshot
Competition of Secondary versus Tertiary Carbenium Routes for the Type B Isomerization of Alkenes over Acid Zeolites Quantified by Ab Initio Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1021/cs200519popenalex-snapshot
Rate-Determining Step in the NOx Reduction Mechanism on BaY Zeolites and the Importance of Long-Range Lattice Effects
inferred← citeshttps://doi.org/10.1021/cs3006583openalex-snapshot
Mechanism of the Catalytic Conversion of Methanol to Hydrocarbons
inferred← citeshttps://doi.org/10.1021/cs500119nopenalex-snapshot
Kinetics and Thermochemistry of C4–C6 Olefin Cracking on H-ZSM-5
inferred← citeshttps://doi.org/10.1021/jacs.9b00585openalex-snapshot
Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics
inferred← citeshttps://doi.org/10.1021/jp022201qopenalex-snapshot
A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites
inferred← citeshttps://doi.org/10.1021/jp034382hopenalex-snapshot
DFT Investigation of Alkoxide Formation from Olefins in H-ZSM-5
inferred← citeshttps://doi.org/10.1021/jp0371985openalex-snapshot
Theoretical Investigation of the Dimerization of Linear Alkenes Catalyzed by Acidic Zeolites
inferred← citeshttps://doi.org/10.1021/jp054605zopenalex-snapshot
Reactivity of Alkanes on Zeolites: A Computational Study of Propane Conversion Reactions
inferred← citeshttps://doi.org/10.1021/jp403504nopenalex-snapshot
β-Scission of Olefins on Acidic Zeolites: A Periodic PBE-D Study in H-ZSM-5
inferred← citeshttps://doi.org/10.1021/jp8036022openalex-snapshot
Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5
inferred← citeshttps://doi.org/10.1021/jp9020905openalex-snapshot
QM/MM Study of the Effect of Local Environment on Dissociative Adsorption in BaY Zeolites
inferred← citeshttps://doi.org/10.1021/jp910617mopenalex-snapshot
A Two-Layer ONIOM Study on Initial Reactions of Catalytic Cracking of 1-Butene To Produce Propene and Ethene over HZSM-5 and HFAU Zeolites
inferred← citeshttps://doi.org/10.1021/jp990555kopenalex-snapshot
Reactivity of Alkanes on Zeolites: A Theoretical ab Initio Study of the H/H Exchange
inferred← citeshttps://doi.org/10.1021/jp9920951openalex-snapshot
An ab Initio Calculation of the Potential for the Interaction of a Hydrogen Atom with an Ethane Molecule
inferred← citeshttps://doi.org/10.1021/jp993194hopenalex-snapshot
Ab Initio and Density Functional Study of the Activation Barrier for Ethane Cracking in Cluster Models of Zeolite H-ZSM-5
inferred← citeshttps://doi.org/10.1021/jp993414ropenalex-snapshot
Activation of Small Alkanes in Ga-Exchanged Zeolites: A Quantum Chemical Study of Ethane Dehydrogenation
inferred← citeshttps://doi.org/10.1021/ma011799hopenalex-snapshot
Negative Ion Electrospray Ionization Mass Spectrum of Polyisobutenylsuccinic Anhydride: Implications for Isobutylene Polymerization Mechanism
inferred← citeshttps://doi.org/10.1021/ol062476eopenalex-snapshot
Palladium-Catalyzed Oxidative Activation of Arylcyclopropanes
inferred← citeshttps://doi.org/10.1021/om0200858openalex-snapshot
Boron, Aluminum, and Gallium Silsesquioxane Compounds, Homogeneous Models for Group 13 Element-Containing Silicates and Zeolites
inferred← citeshttps://doi.org/10.1023/a:1013270318348openalex-snapshot
The First Observation of the Broad-Range DRIFT Spectrum of Methane Adsorbed on H-Mordenite
inferred← citeshttps://doi.org/10.1023/a:1019183110705openalex-snapshot
Quantum-chemical modeling of the hydrocarbon transformations in acid zeolite catalysts
inferred← citeshttps://doi.org/10.1038/s41467-020-15806-8openalex-snapshot
Dynamic co-catalysis of Au single atoms and nanoporous Au for methane pyrolysis
inferred← citeshttps://doi.org/10.1039/9781788013567-00098openalex-snapshot
Advances in Catalytic Processes of Microalgae Conversion into Biofuels and Chemicals
inferred← citeshttps://doi.org/10.1039/a805616aopenalex-snapshot
Quantum-chemical studies of alkene chemisorption in chabazite: A comparison of cluster and embedded-cluster models
inferred← citeshttps://doi.org/10.1039/b104837fopenalex-snapshot
Theoretical study of protonation of butene isomers on acidic zeolite: the relative stability among primary, secondary and tertiary alkoxy intermediates
inferred← citeshttps://doi.org/10.1039/c2ra21594bopenalex-snapshot
Recent developments in the production of liquid fuels via catalytic conversion of microalgae: experiments and simulations
inferred← citeshttps://doi.org/10.1039/c3cp51092aopenalex-snapshot
DFT investigations for the reaction mechanism of dimethyl carbonate synthesis on Pd(ii)/β zeolites
inferred← citeshttps://doi.org/10.1039/c8cy01194jopenalex-snapshot
Olefin methylation and cracking reactions in H-SSZ-13 investigated with ab initio and DFT calculations
inferred← citeshttps://doi.org/10.1039/c9cp03201kopenalex-snapshot
Theoretical insight into the single-atom catalytic mechanism of CeO 2 -supported Ag catalysts in CO oxidation
inferred← citeshttps://doi.org/10.1039/d2cy00207hopenalex-snapshot
Trimethyloxonium ion – a zeolite confined mobile and efficient methyl carrier at low temperatures: a DFT study coupled with microkinetic analysis
inferred← citeshttps://doi.org/10.1039/d2im00059hopenalex-snapshot
Perspective on oligomeric products from lignin depolymerization: their generation, identification, and further valorization
inferred← citeshttps://doi.org/10.1080/01614940701804745openalex-snapshot
Propane Aromatization over HZSM‐5 and Ga/HZSM‐5 Catalysts
inferred← citeshttps://doi.org/10.1134/s0036024409050124openalex-snapshot
On the possibility of the detachment of hydrogen as a result of electron capture by a Broensted center on zeolites
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/10.1139/v05-135openalex-snapshot
Catalyzed β scission of a carbenium ion Mechanistic differences from varying catalyst basicity
inferred← citeshttps://doi.org/10.1139/v06-143openalex-snapshot
Catalyzed β scission of a carbenium ion II — Variations leading to a general mechanism
inferred← citeshttps://doi.org/10.1139/v09-110openalex-snapshot
Catalyzed β scission of a carbenium ion III — Scission observed in ab initio molecular dynamics simulations
inferred← citeshttps://doi.org/10.2109/jcersj2.116.216openalex-snapshot
Synthesis and characterization of bulky mesoporous silica Pd-MCM-41
inferred← citeshttps://doi.org/10.2139/ssrn.7417089openalex-snapshot
12MR-10MR mixed zeolite system for steering product distribution toward ethylene and propylene in catalytic cracking
inferred← citeshttps://doi.org/10.70675/d372cecfzc77az4090z9755z7f4f48cb78beopenalex-snapshot
Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.