On the public citation graph
Density Functional Theory Calculations of the Transition States for Hydrogen Exchange and Dehydrogenation of Methane by a Broensted Zeolitic Proton
0 signed · 103 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known work and none has been retracted — and get a dated CiteStamped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/10.1016/s0167-2991(08)x6067-7openalex-snapshot
Introduction to Zeolite Science and Practice
inferredcites →https://doi.org/10.1016/s0167-2991(09)61133-2openalex-snapshot
Studies in Surface Science and Catalysis
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/(sici)1097-461x(1997)61:4<673::aid-qua9>3.0.co;2-topenalex-snapshot
Density functional study on the activation of methane over Pd2, PdO, and Pd2O clusters
inferred← citeshttps://doi.org/10.1002/0470845015.cza001openalex-snapshot
Zeolites: Applications of Computational Methods
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/10.1002/1521-396x(200109)187:1<275::aid-pssa275>3.0.co;2-9openalex-snapshot
The Dehydrogenation Reaction of Light Alkanes Catalyzed by Zeolites
inferred← citeshttps://doi.org/10.1002/9783527619474.ch5bopenalex-snapshot
Elementary Steps and Mechanisms: Sections 5.3 – 5.5
inferred← citeshttps://doi.org/10.1002/cphc.200800569openalex-snapshot
Significant Influence of Zn on Activation of the C‐H Bonds of Small Alkanes by Brønsted Acid Sites of Zeolite
inferred← citeshttps://doi.org/10.1002/jcc.21802openalex-snapshot
How to find an optimum cluster size through topological site properties: MoSxmodel clusters
inferred← citeshttps://doi.org/10.1002/qua.20668openalex-snapshot
Activation of alkanes on zeolites: A DFT study of hydride abstraction and dehydrogenation on extra‐framework aluminum species
inferred← citeshttps://doi.org/10.1006/jcat.1997.1574openalex-snapshot
Mechanisms of Hydrocarbon Conversion in Zeolites: A Quantum Mechanical Study
inferred← citeshttps://doi.org/10.1006/jcat.1998.2293openalex-snapshot
DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2
inferred← citeshttps://doi.org/10.1006/jcat.1999.2401openalex-snapshot
Kinetics of Hydrogen–Deuterium Exchange Reactions of Methane and Deuterated Acid FAU- and MFI-Type Zeolites
inferred← citeshttps://doi.org/10.1007/0-306-47667-3_3openalex-snapshot
Chemical Reactions of Alkanes Catalysed by Zeolites
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/10.1007/978-981-13-6967-4_6openalex-snapshot
In Situ Solid-State NMR Investigation of Catalytic Reactions on Zeolites
inferred← citeshttps://doi.org/10.1016/0926-860x(96)00060-9openalex-snapshot
Quantumchemical study of the isobutane cracking on zeolites
inferred← citeshttps://doi.org/10.1016/b978-0-444-63506-8.00004-5openalex-snapshot
Basics of Solid-State NMR for Application in Zeolite Science
inferred← citeshttps://doi.org/10.1016/j.apcata.2007.08.034openalex-snapshot
A density functional study on the nature of the adsorption complex between isobutane and H-ZSM5 and its implication for the mechanism of activation of alkane molecules over H-ZSM5 zeolite
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.apsusc.2008.01.137openalex-snapshot
Methane activation over Ag-exchanged ZSM-5 zeolites: A theoretical 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.2014.07.009openalex-snapshot
Theory of surface chemistry and reactivity of reducible oxides
inferred← citeshttps://doi.org/10.1016/j.jcat.2005.07.005openalex-snapshot
Microkinetic modeling of propane aromatization over HZSM-5
inferred← citeshttps://doi.org/10.1016/j.jcat.2007.11.002openalex-snapshot
Zn-promoted hydrogen exchange for methane and ethane on Zn/H-BEA zeolite: In situ 1H MAS NMR kinetic study
inferred← citeshttps://doi.org/10.1016/j.jcat.2016.06.008openalex-snapshot
Alkanal transfer hydrogenation catalyzed by solid Brønsted acid sites
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.2011.10.030openalex-snapshot
Influence of acid strength on the reactivity of alkane activation on solid acid catalysts: A theoretical calculation study
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.theochem.2005.10.050openalex-snapshot
A computational and conceptual DFT approach to the kinetics of acid zeolite catalyzed electrophilic aromatic substitution reactions
inferred← citeshttps://doi.org/10.1016/s0009-2614(01)00227-5openalex-snapshot
A density-functional study of the dehydrogenation reaction of isobutane over zeolites
inferred← citeshttps://doi.org/10.1016/s0009-2614(03)00513-xopenalex-snapshot
Study with density functional theory method on methane C–H bond activation on the MoO2/HZSM-5 active center
inferred← citeshttps://doi.org/10.1016/s0009-2614(03)00611-0openalex-snapshot
The dehydrogenation and cracking reactions of isobutane over the ZSM-5 zeolite
inferred← citeshttps://doi.org/10.1016/s0065-3276(08)60444-xopenalex-snapshot
Density Functional Theory in Catalysis: Activation and Reactivity of a Hydrocarbon Molecule on a Metallic Active site.
inferred← citeshttps://doi.org/10.1016/s0166-1280(03)00290-2openalex-snapshot
A new three-layer hybrid method (LSCF/MM/Madelung) devoted to the study of chemical reactivity in zeolites. Preliminary results
inferred← citeshttps://doi.org/10.1016/s0166-1280(96)04698-2openalex-snapshot
Theoretical investigation of the methane activation reaction on protonated zeolite from generalized valence-bond plus configuration interaction calculations
inferred← citeshttps://doi.org/10.1016/s0166-1280(98)00555-7openalex-snapshot
Computer simulations of the adsorption process of light alkanes in high-silica zeolites
inferred← citeshttps://doi.org/10.1016/s0167-2991(96)80335-1openalex-snapshot
Quantum-chemical study of the nonclassical carbonium ion-like transition states in isobutane cracking on zeolites
inferred← citeshttps://doi.org/10.1016/s0167-2991(97)80622-2openalex-snapshot
The electronegativity equalization method (EEM) as a promising tool for the analysis of zeolite catalyzed reactions
inferred← citeshttps://doi.org/10.1016/s0167-2991(97)80701-xopenalex-snapshot
Quantum-chemical study of hydride transfer in catalytic transformation of paraffins on zeolites
inferred← citeshttps://doi.org/10.1016/s0167-2991(97)80790-2openalex-snapshot
Quantum chemical investigation of reactants in selective reduction of NOx on ion exchanged ZSM-5
inferred← citeshttps://doi.org/10.1016/s0360-0564(08)60627-6openalex-snapshot
The Molecular Basis of Zeolite Catalysis:A Review of Theoretical Simulations
inferred← citeshttps://doi.org/10.1016/s1359-0286(97)80106-4openalex-snapshot
Sorption and activation of hydrocarbons by molecular sieves
inferred← citeshttps://doi.org/10.1016/s1380-7323(96)80098-7openalex-snapshot
Density Functional Theory as a Tool in Studying Catalytic Processes
inferred← citeshttps://doi.org/10.1016/s1381-1169(97)00283-5openalex-snapshot
Structural incorporation of nitrogen into zeolites, and alpos: ab initio molecular orbital calculations on stability and basicity
inferred← citeshttps://doi.org/10.1016/s1387-1811(98)00004-3openalex-snapshot
Double bond migration of 1-butene without protonated intermediate on D-ZSM-5
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c06146openalex-snapshot
Proton-Exchange Reaction in Acidic Zeolites: Mechanism and Free Energetics
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b07457openalex-snapshot
Hexane Cracking on ZSM-5 and Faujasite Zeolites: a QM/MM/QCT Study
inferred← citeshttps://doi.org/10.1021/acscatal.6b03036openalex-snapshot
Different Efficiency of Zn2+ and ZnO Species for Methane Activation on Zn-Modified Zeolite
inferred← citeshttps://doi.org/10.1021/cs300601aopenalex-snapshot
Toward Better Understanding of the Catalytic Action of Acidic Zeolites: Investigation in Methane and Ethane Activation and Transformation
inferred← citeshttps://doi.org/10.1021/ja983470qopenalex-snapshot
Role of the Zeolitic Environment in Catalytic Activation of Methanol
inferred← citeshttps://doi.org/10.1021/jp0008445openalex-snapshot
Mechanisms of Hydrogen Exchange of Methane with H-Zeolite Y: An ab Initio Embedded Cluster Study
inferred← citeshttps://doi.org/10.1021/jp0046142openalex-snapshot
A Topological Study of the Transition States of the Hydrogen Exchange and Dehydrogenation Reactions of Methane on a Zeolite Cluster
inferred← citeshttps://doi.org/10.1021/jp047209+openalex-snapshot
Effect of Ag+ Cations on Nonoxidative Activation of Methane to C2-Hydrocarbons
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/jp063506yopenalex-snapshot
EPR and DFT Study on the Stabilization of Radiation-Generated Methyl Radicals in Dehydrated Na-A Zeolite
inferred← citeshttps://doi.org/10.1021/jp204398ropenalex-snapshot
Hydrogen H/D Exchange and Activation of C1–n-C4 Alkanes on Ga-Modified Zeolite BEA Studied with 1H Magic Angle Spinning Nuclear Magnetic Resonance in Situ
inferred← citeshttps://doi.org/10.1021/jp4006795openalex-snapshot
Methane Activation and Transformation on Ag/H-ZSM-5 Zeolite Studied with Solid-State NMR
inferred← citeshttps://doi.org/10.1021/jp5037316openalex-snapshot
Methane Activation on In-Modified ZSM-5 Zeolite. H/D Hydrogen Exchange of the Alkane with Brønsted Acid Sites
inferred← citeshttps://doi.org/10.1021/jp712071kopenalex-snapshot
Brønsted Acid Catalyzed Cyclization of C7 and C8 Dienes in HZSM-5: A Hybrid QM/MM Study and Comparison with C6 Diene Cyclization
inferred← citeshttps://doi.org/10.1021/jp802162hopenalex-snapshot
Kinetics of H/D Exchange for n-Butane on Zeolite H-ZSM-5 Studied with 1H MAS NMR In Situ
inferred← citeshttps://doi.org/10.1021/jp8079167openalex-snapshot
Selective Decomposition of Alkyl Hydroperoxides on H-Type Zeolite via a Concerted Approach
inferred← citeshttps://doi.org/10.1021/jp951408zopenalex-snapshot
Calculation of the Reaction of Ethylene, Propene, and Acetylene on Zeolite Models
inferred← citeshttps://doi.org/10.1021/jp952280oopenalex-snapshot
Theoretical Studies of Carbocations Adsorbed over a Large Zeolite Cluster. Implications on Hydride Transfer Reactions
inferred← citeshttps://doi.org/10.1021/jp952319popenalex-snapshot
Energetics and Dynamics for NO and CO Dissociation on Cu(100) and Cu(111)
inferred← citeshttps://doi.org/10.1021/jp9523231openalex-snapshot
Activation of C−H and C−C Bonds by an Acidic Zeolite: A Density Functional Study
inferred← citeshttps://doi.org/10.1021/jp960637yopenalex-snapshot
Analysis of the Zeolite-Catalyzed H-Exchange Reaction of Methane Using Atom-In-Molecule Reactivity Indexes
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1021/jp963242nopenalex-snapshot
Thermal Rates of Hydrogen Exchange of Methane with Zeolite: A Direct ab Initio Dynamics Study on the Importance of Quantum Tunneling Effects
inferred← citeshttps://doi.org/10.1021/jp9707504openalex-snapshot
A Novel Route of Double-Bond Migration of an Olefin without Protonated Species on ZSM-5 Zeolite
inferred← citeshttps://doi.org/10.1021/jp971812topenalex-snapshot
DoubleBond Migration of an Olefin without Protonated Species on H(D) Form Zeolites
inferred← citeshttps://doi.org/10.1021/jp9836832openalex-snapshot
Reactivity Index Scale for Interaction of Heteroatomic Molecules with Zeolite Framework
inferred← citeshttps://doi.org/10.1021/jp990444lopenalex-snapshot
Stable Dimerized Alkoxy Species of 2-Methylpropene on Mordenite Zeolite Studied by FT-IR
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/jp993414ropenalex-snapshot
Activation of Small Alkanes in Ga-Exchanged Zeolites: A Quantum Chemical Study of Ethane Dehydrogenation
inferred← citeshttps://doi.org/10.1021/jp9943427openalex-snapshot
Density Functional Theory Study of Proton Mobility in Zeolites: Proton Migration and Hydrogen Exchange in ZSM-5
inferred← citeshttps://doi.org/10.1023/a:1008224428489openalex-snapshot
Theoretical Studies of the Electrostatic Effect on Carbocations Adsorbed over Zeolitic Sites
inferred← citeshttps://doi.org/10.1023/a:1008279021220openalex-snapshot
Molecular Dynamics Studies of Light Hydrocarbons Diffusion in Zeolites
inferred← citeshttps://doi.org/10.1023/a:1019066718512openalex-snapshot
A quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. Pathways through adsorbed nonclassical carbonium ions
inferred← citeshttps://doi.org/10.1023/a:1019123818998openalex-snapshot
Quantum chemical studies of zeolite proton catalyzed reactions
inferred← citeshttps://doi.org/10.1023/a:1019183110705openalex-snapshot
Quantum-chemical modeling of the hydrocarbon transformations in acid zeolite catalysts
inferred← citeshttps://doi.org/10.1023/a:1019187027601openalex-snapshot
Electronic structure studies of carbonium ions and their formation within acidic zeolites
inferred← citeshttps://doi.org/10.1023/a:1020579705752openalex-snapshot
The Activation of CD4 for H/D Exchange Over H-Zeolites
inferred← citeshttps://doi.org/10.1039/b002013nopenalex-snapshot
Ab initio and density-functional theory study of zeolite-catalyzed hydrocarbon reactions: hydride transfer, alkylation and disproportionation
inferred← citeshttps://doi.org/10.1039/b102249kopenalex-snapshot
Calculation of reaction rate constants for hydrogen–deuterium exchange reactions of methane catalysed by acid zeolites
inferred← citeshttps://doi.org/10.1039/c7gc00992eopenalex-snapshot
Heterogeneous Diels–Alder catalysis for biomass-derived aromatic compounds
inferred← citeshttps://doi.org/10.1063/1.3265715openalex-snapshot
Mechanism of alkane dehydrogenation catalyzed by acidic zeolites: Ab initio transition path sampling
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1063/1.4923086openalex-snapshot
Quantum chemical ab initio prediction of proton exchange barriers between CH4 and different H-zeolites
inferred← citeshttps://doi.org/10.1080/01614940701804745openalex-snapshot
Propane Aromatization over HZSM‐5 and Ga/HZSM‐5 Catalysts
inferred← citeshttps://doi.org/10.1134/s0023158407040088openalex-snapshot
In situ NMR spectroscopy in heterogeneous catalysis: Kinetic study of hydrocarbon conversion mechanisms
inferred← citeshttps://doi.org/10.1134/s0023158410060121openalex-snapshot
Results of NMR spectroscopic studies of hydrocarbon conversions on solid acid catalysts in the last 25 years
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/10.1201/9780203911167-20openalex-snapshot
Reaction Mechanisms in Zeolite Catalysis
inferred← citeshttps://doi.org/10.1201/9780203911167.ch15openalex-snapshot
Reaction Mechanisms in Zeolite Catalysis
inferred← citeshttps://doi.org/10.15826/elmattech.2023.2.014openalex-snapshot
H/D exchange studies of methane activation mechanisms in heterogeneous catalysis
inferred← citeshttps://doi.org/10.2136/sssaspecpub55.c2openalex-snapshot
Computational Chemistry in the Future of Soil Chemistry
inferred← citeshttps://doi.org/10.6100/ir475528openalex-snapshot
Computational studies of zeolite catalyzed reactions
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.