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A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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inferred← citeshttps://doi.org/10.1016/j.mcat.2022.112559openalex-snapshot
Unexpected role of two ortho-OH groups for the hydrogenation of CO2 to methanol catalyzed by Fe bipyridinol complexes
inferred← citeshttps://doi.org/10.1016/j.mcat.2022.112779openalex-snapshot
Cobalt-catalyzed carbonylation of epoxides to β-lactones promoted by gallium porphyrin
inferred← citeshttps://doi.org/10.1016/j.mcat.2024.114083openalex-snapshot
A DFT study on Cu-ZSM-5 as a catalyst for NO decomposition: Possible activity of a Cu(I) pair located at the T3 tetrahedral sites
inferred← citeshttps://doi.org/10.1016/j.mcat.2024.114365openalex-snapshot
Theoretical insight into selectivity and catalytic activity of γ-(Al2O3) supported Ir(CO)2 complex for 1,3-butadiene partial hydrogenation
inferred← citeshttps://doi.org/10.1016/j.mcat.2024.114391openalex-snapshot
Unraveling the mechanism of substrate-induced reactivity change in the trimerization of isocyanates: A comprehensive DFT study
inferred← citeshttps://doi.org/10.1016/j.mcat.2025.115237openalex-snapshot
Mechanistic study on the conversion of primary alcohols and butadiene into branched ketones using a rhodium catalyst
inferred← citeshttps://doi.org/10.1016/j.micromeso.2019.109883openalex-snapshot
CO2/CH4 adsorption over functionalized multi-walled carbon nanotubes; an experimental study, isotherms analysis, mechanism, and thermodynamics
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.121737openalex-snapshot
In-depth DFT insights into the crucial role of hydrogen bonding network in CO2 fixation into propylene oxide promoted by Biomass-Derived deep eutectic solvents
inferred← citeshttps://doi.org/10.1016/j.molstruc.2021.132323openalex-snapshot
Succinylated isoniazid potential prodrug: Design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations
inferred← citeshttps://doi.org/10.1016/j.xcrp.2022.100970openalex-snapshot
Balanced nitrogen and hydrogen chemisorption by [RuH6] catalytic center favors low-temperature NH3 synthesis
inferred← citeshttps://doi.org/10.1021/acs.accounts.0c00857openalex-snapshot
The Genesis of Molecular Volcano Plots
inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00148openalex-snapshot
Electronic Structure Modeling of Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.chemrev.8b00361openalex-snapshot
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
inferred← citeshttps://doi.org/10.1021/acs.iecr.2c00390openalex-snapshot
Modified Energy Span Analysis Reveals Heterogeneous Catalytic Kinetics
inferred← citeshttps://doi.org/10.1021/acs.iecr.2c01991openalex-snapshot
Modified Energy Span Analysis of Catalytic Parallel Pathways and Selectivity
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c01504openalex-snapshot
Unraveling the Mechanism of Aerobic Alcohol Oxidation by a Cu/pytl-β-Cyclodextrin/TEMPO Catalytic System under Air in Neat Water
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c02689openalex-snapshot
Ascendancy of Nitrogen Heterocycles in the Computationally Designed Mn(I)PNN Pincer Catalysts on the Hydrogenation of Carbon Dioxide to Methanol
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.2c00279openalex-snapshot
Deciphering Distinct Overpotential-Dependent Pathways for Electrochemical CO 2 Reduction Catalyzed by an Iron–Terpyridine Complex
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.2c02963openalex-snapshot
Catalytic Nitrous Oxide Reduction with H 2 Mediated by Pincer Ir Complexes
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5c01787openalex-snapshot
Magnesium-Catalyzed Primary, Secondary, and Tertiary Amide Hydroboration
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6b01916openalex-snapshot
A Radical Mechanism for the Vanadium-Catalyzed Deoxydehydration of Glycols
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.7b00739openalex-snapshot
A Mechanistic Insight into the Ligand-Controlled Asymmetric Arylation of Aliphatic α-Amino Anion Equivalents: Origin of Regio- and Enantioselectivities
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.7b03216openalex-snapshot
Comprehensive Mechanistic Insight into Cooperative Lewis Acid/Cp*CoIII-Catalyzed C–H/N–H Activation for the Synthesis of Isoquinolin-3-ones
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.8b01352openalex-snapshot
Mechanistic Exploration of Cp*CoIII/RhIII-Catalyzed Carboamination/Olefination of N-Phenoxyacetamides with Alkenes
inferred← citeshttps://doi.org/10.1021/acs.jchemed.3c00319openalex-snapshot
EveRplot: A Web-Based Shiny Application for Creating Energy vs Reaction Coordinate Diagrams
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01649openalex-snapshot
Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion
inferred← citeshttps://doi.org/10.1021/acs.joc.1c00894openalex-snapshot
Chalcogen vs Halogen Bonding Catalysis in a Water-Bridge-Cocatalyzed Nitro-Michael Reaction
inferred← citeshttps://doi.org/10.1021/acs.joc.2c00046openalex-snapshot
Ir-Catalyzed Ligand-Free Directed C–H Borylation of Arenes and Pharmaceuticals: Detailed Mechanistic Understanding
inferred← citeshttps://doi.org/10.1021/acs.joc.2c02668openalex-snapshot
Dodging the Conventional Reactivity of o-Alkynylanilines under Gold Catalysis for Distal 7-endo-dig Cyclization
inferred← citeshttps://doi.org/10.1021/acs.joc.3c02356openalex-snapshot
Syn-Aminoauration versus Anti-Aminoauration of Alkynes in Au(I)/Au(III) Catalysis: Understanding the Origin of Selectivity
inferred← citeshttps://doi.org/10.1021/acs.joc.4c00268openalex-snapshot
Elucidating the Mechanism of Tetrahydrofuran-Diol Formation through Os(VI)-Catalyzed Oxidative Cyclization of 5,6-Dihydroxyalkenes Ligated by Citric Acid
inferred← citeshttps://doi.org/10.1021/acs.joc.4c00409openalex-snapshot
Will We Witness Enzymatic or Pd-(Oligo)Peptide Catalysis in Suzuki Cross-Coupling Reactions?
inferred← citeshttps://doi.org/10.1021/acs.joc.4c01458openalex-snapshot
Mechanistic Insights from Density Functional Theory into Rh/Acid-Catalyzed Synthesis of 1,2-Dihydroquinolines via Skeleton-Reorganizing Coupling of Cycloheptatriene and Amines
inferred← citeshttps://doi.org/10.1021/acs.joc.4c01996openalex-snapshot
Computational Study of SmI2-Catalyzed Intermolecular Couplings of Cyclopropyl Ketones: Links between the Structure and Reactivity
inferred← citeshttps://doi.org/10.1021/acs.joc.5c01033openalex-snapshot
DFT Investigation of a Nonclassical Oxidative Addition-Reductive Elimination Pathway in the Pd(0)/Pd(II)/Pd(0) Cycle for Dual Hydroamination of Cycloheptatriene to Tropene
inferred← citeshttps://doi.org/10.1021/acs.joc.6c01026openalex-snapshot
Propylene Carbonate Formation from Propylene Oxide and CO2 Catalyzed by Bifunctional β/γ-Hybrid Pentamers: A DFT Mechanistic Study
inferred← citeshttps://doi.org/10.1021/acs.joc.7b01672openalex-snapshot
Aliphatic C(sp3)–H Bond Activation Using Nickel Catalysis: Mechanistic Insights on Regioselective Arylation
inferred← citeshttps://doi.org/10.1021/acs.joc.7b03213openalex-snapshot
Theoretical Insight into the Mechansim and Origin of Ligand-Controlled Regioselectivity in Homogenous Gold-Catalyzed Intramolecular Hydroarylation of Alkynes
inferred← citeshttps://doi.org/10.1021/acs.joc.8b00292openalex-snapshot
Mechanistic Exploration of the Competition Relationship between a Ketone and C═C, C═N, or C═S Bond in the Rh(III)-Catalyzed Carbocyclization Reactions
inferred← citeshttps://doi.org/10.1021/acs.joc.9b02682openalex-snapshot
Mechanistic Insight toward Understanding the Role of Charge in Thiourea Organocatalysis
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c10577openalex-snapshot
Methane to Methanol Conversion Facilitated by Anionic Transition Metal Centers: The Case of Fe, Ni, Pd, and Pt
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c02153openalex-snapshot
Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c02676openalex-snapshot
DFT Mechanism Study of Ligand-Controlled Ru-Catalyzed Selective Aerobic Oxidative Generation of Homocoupled Imines and Nitriles
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b03301openalex-snapshot
When Is Ligand pKa a Good Descriptor for Catalyst Energetics? In Search of Optimal CO2 Hydration Catalysts
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b04284openalex-snapshot
Mechanism and Origin of Enantioselectivity in Nickel-Catalyzed Alkyl–Alkyl Suzuki Coupling Reaction
inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c10403openalex-snapshot
Transesterification in Vitrimer Polymers Using Bifunctional Catalysts: Modeled with Solution-Phase Experimental Rates and Theoretical Analysis of Efficiency and Mechanisms
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c07258openalex-snapshot
Computational Insight into the Ligand Effect on the Original Activity of Rh-Catalyzed Formaldehyde Hydroformylation
inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c03915openalex-snapshot
Active Site Engineering via Optimizing the Heterogeneous Support Structure for Single-Atom Catalysis
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b09726openalex-snapshot
Catalytic Oxidation of NO on [Au–M]− (M = Pd and Pt) Bimetallic Dimers: An Insight from Density Functional Theory Approach
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c02549openalex-snapshot
DFT Insights into High-Temperature H 2 Production at Dual-Atom Active Sites on CeO 2
inferred← citeshttps://doi.org/10.1021/acs.organomet.3c00162openalex-snapshot
Dinuclear Influence on the Mechanism, Reactivity, and Selectivity During Rh–Al-Catalyzed Aryl Ether C–O Bond Reduction/Defunctionalization
inferred← citeshttps://doi.org/10.1021/acs.organomet.4c00515openalex-snapshot
Mechanism of Nickel-Catalyzed Dual C–O Bond Activation in the Deoxygenation of Ethers via Reductive Cross-Coupling Reaction: A DFT Study
inferred← citeshttps://doi.org/10.1021/acs.organomet.5c00504openalex-snapshot
Computational, Data Science, and Experimental Evaluation and Design of Homogeneous Transfer Hydroformylation Catalysts
inferred← citeshttps://doi.org/10.1021/acs.organomet.6b00246openalex-snapshot
How Does an Earth-Abundant Copper-Based Catalyst Achieve Anti-Markovnikov Hydrobromination of Alkynes? A DFT Mechanistic Study
inferred← citeshttps://doi.org/10.1021/acs.organomet.6b00765openalex-snapshot
Efficient Hydrosilylation of Acetophenone with a New Anthraquinonic Amide-Based Iron Precatalyst
inferred← citeshttps://doi.org/10.1021/acs.organomet.7b00039openalex-snapshot
Experimental and Theoretical Studies on the Mechanism of the C–S Bond Activation of PdII Thiolate/Thioether Complexes
inferred← citeshttps://doi.org/10.1021/acs.organomet.7b00310openalex-snapshot
Theoretical Investigation on Nickel-Catalyzed Hydrocarboxylation of Alkynes Employing Formic Acid
inferred← citeshttps://doi.org/10.1021/acs.organomet.8b00046openalex-snapshot
Ni(COD)2-Catalyzed ipso-Silylation of 2-Methoxynaphthalene: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/acs.organomet.8b00578openalex-snapshot
Unraveling the Effects of H2, N Substituents and Secondary Ligands on Cr/PNP-Catalyzed Ethylene Selective Oligomerization
inferred← citeshttps://doi.org/10.1021/acs.orglett.0c02862openalex-snapshot
Probing Substrate Scope with Molecular Volcanoes
inferred← citeshttps://doi.org/10.1021/acscatal.0c00774openalex-snapshot
Data-Driven Advancement of Homogeneous Nickel Catalyst Activity for Aryl Ether Cleavage
inferred← citeshttps://doi.org/10.1021/acscatal.0c02332openalex-snapshot
Revisiting Catalytic Cycles: A Broader View through the Energy Span Model
inferred← citeshttps://doi.org/10.1021/acscatal.0c03497openalex-snapshot
Origins of High Kinetic (E)-Selectivity in Alkene Isomerization by a CpRu(PN) Catalyst: a Combined Experimental and Computational Approach
inferred← citeshttps://doi.org/10.1021/acscatal.0c04882openalex-snapshot
Homoleptic Lanthanide Amide Catalysts for Organic Synthesis: Experiment and Theory
inferred← citeshttps://doi.org/10.1021/acscatal.0c04906openalex-snapshot
Mechanism and Kinetics of Light Alkane Dehydrogenation and Cracking over Isolated Ga Species in Ga/H-MFI
inferred← citeshttps://doi.org/10.1021/acscatal.1c02083openalex-snapshot
Developing Efficient Suzuki Cross-Coupling Catalysts by Doping Palladium Clusters with Silver
inferred← citeshttps://doi.org/10.1021/acscatal.2c03997openalex-snapshot
Materials Screening by the Descriptor Gmax(η): The Free-Energy Span Model in Electrocatalysis
inferred← citeshttps://doi.org/10.1021/acscatal.3c01978openalex-snapshot
Revised Nitrogen Reduction Scaling Relations from Potential-Dependent Modeling of Chemical and Electrochemical Steps
inferred← citeshttps://doi.org/10.1021/acscatal.4c01175openalex-snapshot
Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions
inferred← citeshttps://doi.org/10.1021/acscatal.5b00694openalex-snapshot
Steady State Kinetics of Any Catalytic Network: Graph Theory, the Energy Span Model, the Analogy between Catalysis and Electrical Circuits, and the Meaning of “Mechanism”
inferred← citeshttps://doi.org/10.1021/acscatal.5b02091openalex-snapshot
Mechanistic Study of the Direct Intramolecular Allylic Amination Reaction Catalyzed by Palladium(II)
inferred← citeshttps://doi.org/10.1021/acscatal.5b02938openalex-snapshot
A Computational Mechanistic Study of Amidation of Quinoline N-Oxide: The Relative Stability of Amido Insertion Intermediates Determines the Regioselectivity
inferred← citeshttps://doi.org/10.1021/acscatal.5c00348openalex-snapshot
Microkinetic Assessment of Ligand-Exchanging Catalytic Cycles
inferred← citeshttps://doi.org/10.1021/acscatal.5c03419openalex-snapshot
Single-Atom Centers of MXenes for Electrochemical Ammonia Oxidation: Moving Beyond Thermodynamic Descriptors
inferred← citeshttps://doi.org/10.1021/acscatal.5c03680openalex-snapshot
Quantum Chemical Insights of Mesoionic N -Heterocyclic Olefin-Catalyzed S -Formylation of Thiols Using CO 2
inferred← citeshttps://doi.org/10.1021/acscatal.5c04123openalex-snapshot
Ketonization of Acetic Acid over Iron Oxide: Intertwined In Situ Changes of Active Sites and the Contradictory Role of Oxygen Vacancies
inferred← citeshttps://doi.org/10.1021/acscatal.6b00421openalex-snapshot
Implications of CO2 Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+ Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1021/acscatal.6b02405openalex-snapshot
Reversibility Iteration Method for Understanding Reaction Networks and for Solving Microkinetics in Heterogeneous Catalysis
inferred← citeshttps://doi.org/10.1021/acscatal.6b02682openalex-snapshot
Catalysis of the Diels–Alder Reaction of Furan and Methyl Acrylate in Lewis Acidic Zeolites
inferred← citeshttps://doi.org/10.1021/acscatal.7b04295openalex-snapshot
Computational Modeling of the Nature and Role of Ga Species for Light Alkane Dehydrogenation Catalyzed by Ga/H-MFI
inferred← citeshttps://doi.org/10.1021/acscatal.8b00042openalex-snapshot
Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis
inferred← citeshttps://doi.org/10.1021/acscatal.9b00203openalex-snapshot
Improved Electrocatalytic Water Splitting Reaction on CeO2(111) by Strain Engineering: A DFT+U Study
inferred← citeshttps://doi.org/10.1021/acscatal.9b00717openalex-snapshot
Activity-Based Screening of Homogeneous Catalysts through the Rapid Assessment of Theoretically Derived Turnover Frequencies
inferred← citeshttps://doi.org/10.1021/acscatal.9b01234openalex-snapshot
Progress in Accurate Chemical Kinetic Modeling, Simulations, and Parameter Estimation for Heterogeneous Catalysis
inferred← citeshttps://doi.org/10.1021/acscatal.9b01799openalex-snapshot
Zeolite-Catalyzed Isobutene Amination: Mechanism and Kinetics
inferred← citeshttps://doi.org/10.1021/acscatal.9b04952openalex-snapshot
Automated in Silico Design of Homogeneous Catalysts
inferred← citeshttps://doi.org/10.1021/acscatal.9b05176openalex-snapshot
Experimental and Computational Studies of Carbon–Carbon Bond Formation via Ketonization and Aldol Condensation over Site-Isolated Zirconium Catalysts
inferred← citeshttps://doi.org/10.1021/acscatal.9b05526openalex-snapshot
Energetics of Dynamic Kinetic Asymmetric Transformation in Suzuki–Miyaura Coupling
inferred← citeshttps://doi.org/10.1021/acsphyschemau.2c00054openalex-snapshot
Steering Selectivity in the Four-Electron and Two-Electron Oxygen Reduction Reactions: On the Importance of the Volcano Slope
inferred← citeshttps://doi.org/10.1021/cs3005264openalex-snapshot
“Turning Over” Definitions in Catalytic Cycles
inferred← citeshttps://doi.org/10.1021/cs400129gopenalex-snapshot
Reactivity and Regioselectivity of Methylacetylene Cyclotrimerization over the Phillips Cr/Silica Catalyst: A DFT Study
inferred← citeshttps://doi.org/10.1021/cs5015145openalex-snapshot
Coverage-Induced Conformational Effects on Activity and Selectivity: Hydrogenation and Decarbonylation of Furfural on Pd(111)
inferred← citeshttps://doi.org/10.1021/cs501626nopenalex-snapshot
Mechanism and Stereoselectivity of Directed C(sp3)–H Activation and Arylation Catalyzed by Pd(II) with Pyridine Ligand and Trifluoroacetate: A Computational Study
inferred← citeshttps://doi.org/10.1021/cs501705bopenalex-snapshot
Hydroamination of C–C Multiple Bonds with Hydrazine Catalyzed by N-Heterocyclic Carbene–Gold(I) Complexes: Substrate and Ligand Effects
inferred← citeshttps://doi.org/10.1021/ct400970yopenalex-snapshot
Divided Saddle Theory: A New Idea for Rate Constant Calculation
inferred← citeshttps://doi.org/10.1021/ic301539qopenalex-snapshot
Mechanisms of the Water-Gas Shift Reaction Catalyzed by Ruthenium Pentacarbonyl: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/ja501805ropenalex-snapshot
A Mechanistic Study of the Lewis Base-Directed Cycloaddition of 2-Pyrones and Alkynylboranes
inferred← citeshttps://doi.org/10.1021/jacs.0c05223openalex-snapshot
Palladium-Catalyzed meta-C–H Allylation of Arenes: A Unique Combination of a Pyrimidine-Based Template and Hexafluoroisopropanol
inferred← citeshttps://doi.org/10.1021/jacs.1c07351openalex-snapshot
Heavy-Atom Kinetic Isotope Effects: Primary Interest or Zero Point?
inferred← citeshttps://doi.org/10.1021/jacs.2c10975openalex-snapshot
Role of Noncovalent Interactions in Inducing High Enantioselectivity in an Alcohol Reductive Deoxygenation Reaction Involving a Planar Carbocationic Intermediate
inferred← citeshttps://doi.org/10.1021/jacs.4c07621openalex-snapshot
Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys
inferred← citeshttps://doi.org/10.1021/jacs.7b01931openalex-snapshot
Mechanism and Selectivity of Cooperatively Catalyzed Meyer–Schuster Rearrangement/Tsuji–Trost Allylic Substitution. Evaluation of Synergistic Catalysis by Means of Combined DFT and Kinetics Simulations
inferred← citeshttps://doi.org/10.1021/jacs.7b06811openalex-snapshot
Chiral Thioureas Promote Enantioselective Pictet–Spengler Cyclization by Stabilizing Every Intermediate and Transition State in the Carboxylic Acid-Catalyzed Reaction
inferred← citeshttps://doi.org/10.1021/jacs.7b07694openalex-snapshot
Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization
inferred← citeshttps://doi.org/10.1021/jacs.8b11443openalex-snapshot
Mechanism and Kinetics of Propane Dehydrogenation and Cracking over Ga/H-MFI Prepared via Vapor-Phase Exchange of H-MFI with GaCl3
inferred← citeshttps://doi.org/10.1021/jacs.9b13537openalex-snapshot
Pd-Catalyzed γ‑C(sp3)–H Fluorination of Free Amines
inferred← citeshttps://doi.org/10.1021/jacsau.5c00923openalex-snapshot
Mechanistic Insight into the Thermal Ring Opening of the Dewar Isomer of 1,2-Dihydro-1,2-azaborinines
inferred← citeshttps://doi.org/10.1021/jo4005603openalex-snapshot
Computational Study of Gold-Catalyzed Homo- and Cross-Coupling Reactions
inferred← citeshttps://doi.org/10.1021/om5009499openalex-snapshot
Computational Study on Cycloisomerization/Oxidative Dimerization of Aryl Propargyl Ethers Catalyzed by Gold Nanoclusters: Mechanism and Selectivity
inferred← citeshttps://doi.org/10.1038/nchem.2087openalex-snapshot
Atom-efficient regioselective 1,2-dearomatization of functionalized pyridines by an earth-abundant organolanthanide catalyst
inferred← citeshttps://doi.org/10.1038/s41467-025-65574-6openalex-snapshot
Challenging the Bredt’s rule in an acid catalyzed cationic cyclization to get bicyclo[3.3.1]nonane derivatives
inferred← citeshttps://doi.org/10.1038/s41598-024-72224-2openalex-snapshot
Palladium-immobilized triazine dendrimer on magnetic nanoparticles: as reusable microreactor for solvent-dependent synthesis strategy of 2,3-diphenylindoles and pentaphenylpyrrole derivatives
inferred← citeshttps://doi.org/10.1039/c5nj00770dopenalex-snapshot
Application of the energetic span model to the electrochemical catalysis of proton reduction by a diiron azadithiolate complex
inferred← citeshttps://doi.org/10.1039/c5ra18083jopenalex-snapshot
Mechanistic insight into the aerobic oxidation of benzyl alcohol catalyzed by the Cu II –TEMPO catalyst in alkaline water solution
inferred← citeshttps://doi.org/10.1039/c5sc00394fopenalex-snapshot
Metal-free dehydrogenation of formic acid to H 2 and CO 2 using boron-based catalysts
inferred← citeshttps://doi.org/10.1039/c6dt00476hopenalex-snapshot
The mechanism of enantioselective ketone reduction with Noyori and Noyori–Ikariya bifunctional catalysts
inferred← citeshttps://doi.org/10.1039/c6ob02651fopenalex-snapshot
Cooperativity of axial and centre chirality in the biaryl disulfoxide/Rh( i )-catalysed asymmetric 1,4-addition of arylboronic aids to 2-cyclohexenone: a DFT study
inferred← citeshttps://doi.org/10.1039/c6ra27207jopenalex-snapshot
Theoretical insights into ω-alkynylfuran cycloisomerisation catalyzed by Au/CeO 2 (111): the role of the CeO 2 (111) support
inferred← citeshttps://doi.org/10.1039/c7dt00547dopenalex-snapshot
Mechanistic insight into the regioselectivity of Pd( ii )-catalyzed C–H functionalization of N-methoxy cinnamamide
inferred← citeshttps://doi.org/10.1039/c8dt00643aopenalex-snapshot
Understanding titanium-catalysed radical–radical reactions: a DFT study unravels the complex kinetics of ketone–nitrile couplings
inferred← citeshttps://doi.org/10.1039/c8sc03153copenalex-snapshot
Rhodium( ii )-catalyzed C–H aminations using N -mesyloxycarbamates: reaction pathway and by-product formation
inferred← citeshttps://doi.org/10.1039/c9cc00754gopenalex-snapshot
Catalysis: energy is the measure of all things
inferred← citeshttps://doi.org/10.1039/c9cp00514eopenalex-snapshot
A rational design of manganese electrocatalysts for Lewis acid-assisted carbon dioxide reduction
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