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Theoretical Insight into Selectivity and Catalytic Activity of Γ-Al2o3 Supported Ir(Co)2 Complex for 1,3-Butadiene Partial Hydrogenation
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Outgoing claims: the papers this work cites, builds on, or argues with.
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CO 2 Hydrogenation on Cu/Al 2 O 3 : Role of the Metal/Support Interface in Driving Activity and Selectivity of a Bifunctional Catalyst
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A Highly Selective Catalyst for Partial Hydrogenation of 1,3‐Butadiene: MgO‐Supported Rhodium Clusters Selectively Poisoned with CO
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The Partial Hydrogenation of 1,3‐Dienes Catalysed by Soluble Transition‐Metal Nanoparticles
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How Can Theory Predict the Selectivity of Palladium‐Catalyzed Cross‐Coupling of Pristine Aromatic Molecules?
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DFT Methods to Study the Reaction Mechanism of Iridium‐Catalyzed Hydrogenation of Olefins: Which Functional Should be Chosen?
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Design of a Metal‐Promoted Oxide Catalyst for the Selective Synthesis of Butadiene from Ethanol
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Design of Copper‐Based Bimetallic Nanoparticles for Carbon Dioxide Adsorption and Activation
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Strategies for Stabilizing Atomically Dispersed Metal Catalysts
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A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles
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1,3-Butadiene selective hydrogenation over Pd/alumina and CuPd/alumina catalysts
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A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces
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Selective hydrogenation of 1,3-butadiene over single Pt1/Cu(1 1 1) model catalysts: A DFT study
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Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations
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Hydrogenation of carbon–carbon multiple bonds: chemo-, regio- and stereo-selectivity
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Surface Coordination Chemistry of Atomically Dispersed Metal Catalysts
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Atomically Dispersed Metals on Well-Defined Supports including Zeolites and Metal–Organic Frameworks: Structure, Bonding, Reactivity, and Catalysis
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Accuracy of Density Functional Theory for Predicting Kinetics of Methanol Synthesis from CO and CO2 Hydrogenation on Copper
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Electronic Structure of Atomically Dispersed Supported Iridium Catalyst Controls Iridium Aggregation
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Ag Alloyed Pd Single-Atom Catalysts for Efficient Selective Hydrogenation of Acetylene to Ethylene in Excess Ethylene
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Tuning the Selectivity of Single-Site Supported Metal Catalysts with Ionic Liquids
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Ethene Dimerization and Hydrogenation over a Zeolite-Supported Rh(I)-Carbonyl Complex: Mechanistic Insights from DFT Modeling
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Development of Tandem Catalysts for CO2 Hydrogenation to Olefins
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How to Conceptualize Catalytic Cycles? The Energetic Span Model
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A Combined Kinetic−Quantum Mechanical Model for Assessment of Catalytic Cycles: Application to Cross-Coupling and Heck Reactions
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Particle Size Effects in the Catalytic Electroreduction of CO2 on Cu Nanoparticles
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Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange
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Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit
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Tuning selectivity in catalysis by controlling particle shape
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Unprecedentedly high activity and selectivity for hydrogenation of nitroarenes with single atomic Co1-N3P1 sites
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Key unanswered questions about the mechanism of olefin hydrogenation catalysis by transition-metal surfaces: a surface-science perspective
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Experimental and computational studies of the roles of MgO and Zn in talc for the selective formation of 1,3-butadiene in the conversion of ethanol
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Reactive surface organometallic complexes observed using dynamic nuclear polarization surface enhanced NMR spectroscopy
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Atomically dispersed supported metal catalysts: perspectives and suggestions for future research
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Reaction pathway for partial hydrogenation of 1,3-butadiene over Pt/SiO 2
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DFT study of CO 2 hydrogenation catalyzed by a cobalt-based system: an unexpected formate anion-assisted deprotonation mechanism
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Surface organometallic chemistry in heterogeneous catalysis
inferredcites →https://doi.org/10.1039/c8sc05287eopenalex-extracted
Controlling catalytic activity and selectivity for partial hydrogenation by tuning the environment around active sites in iridium complexes bonded to supports
inferredcites →https://doi.org/10.1039/c9re00371aopenalex-extracted
The role of hydrogen coverage and location in 1,3-butadiene hydrogenation over Pt/SiO 2
inferredcites →https://doi.org/10.1039/tf9343001164openalex-extracted
Exchange reactions of hydrogen on metallic catalysts
inferredcites →https://doi.org/10.1103/physrevb.73.195123openalex-extracted
Nonequivalence of the generalized gradient approximations PBE and PW91
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Generalized Gradient Approximation Made Simple
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Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations
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Atomically Dispersed Supported Metal Catalysts
inferredcites →https://doi.org/10.1246/bcsj.48.803openalex-extracted
The Mechanism of the Selective Hydrogenation of 1,3-Butadiene on Copper Surfaces
inferredcites →https://doi.org/10.3390/catal5010145openalex-extracted
Heterogeneous Catalyst Deactivation and Regeneration: A Review
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