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Mechanisms of the Water−Gas-Shift Reaction by Iron Pentacarbonyl in the Gas Phase
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/978-1-4757-9643-8openalex-snapshot
Chemical Kinetics and Catalysis
inferredcites →https://doi.org/10.1021/ar00062a001openalex-snapshot
The water gas shift reaction: homogeneous catalysis by ruthenium and other metal carbonyls
inferredcites →https://doi.org/10.1021/ic001114eopenalex-snapshot
Iron Pentacarbonyl: Are the Axial or the Equatorial Iron−Carbon Bonds Longer in the Gaseous Molecule?
inferredcites →https://doi.org/10.1021/ic049159topenalex-snapshot
Theoretical Study of the Gas-Phase Fe(CO)5 Catalyzed Water Gas Shift Reaction: A New Mechanism Proposed
inferredcites →https://doi.org/10.1021/j100029a019openalex-snapshot
Effect of the Reference Geometry and the Exchange Correlation Functional on the Vibrational Frequencies Calculated by Density Functional Methods. The Examples of Benzene and Nickel, Chromium, and Iron Carbonyls
inferredcites →https://doi.org/10.1021/j100257a005openalex-snapshot
Ab initio quantum chemical studies of electric field gradients in the hydrogen bonded molecular nitrogen-hydrogen fluoride and molecular nitrogen-hydrogen chloride complexes
inferredcites →https://doi.org/10.1021/ja00023a024openalex-snapshot
Gas-phase acidities of pentacarbonyl manganese, iron, and cobalt hydrides, (CO)5MnH, (CO)4FeH2, and (CO)4CoH
inferredcites →https://doi.org/10.1021/ja00054a048openalex-snapshot
Energetics and mechanism of the thermal decarboxylation of tetracarbonyl(carboxy)ferrate(1-) in the gas phase
inferredcites →https://doi.org/10.1021/ja00332a001openalex-snapshot
Formation and reactivity of the iron carboxylic acid anion Fe(CO)4COOH- in the gas phase. Implications for the iron pentacarbonyl-catalyzed water-gas shift reaction
inferredcites →https://doi.org/10.1021/ja00366a020openalex-snapshot
Reactions of iron pentacarbonyl and dihydrogen tetracarbonylferrate related to the water-gas shift reaction
inferredcites →https://doi.org/10.1021/ja00443a049openalex-snapshot
Homogeneous catalysis by ruthenium carbonyl in alkaline solution: the water gas shift reaction
inferredcites →https://doi.org/10.1021/ja00450a062openalex-snapshot
Homogeneous catalysis of the water gas shift reaction using rhodium carbonyl iodide
inferredcites →https://doi.org/10.1021/ja00467a038openalex-snapshot
Reductions with carbon monoxide and water in place of hydrogen. 1. Hydroformylation reaction and water gas shift reaction
inferredcites →https://doi.org/10.1021/ja00477a076openalex-snapshot
Active homogeneous catalysts for the water gas shift reaction derived from the simple mononuclear carbonyls of iron, chromium, molybdenum, and tungsten
inferredcites →https://doi.org/10.1021/ja00486a072openalex-snapshot
The existence of colorless europium(IV)
inferredcites →https://doi.org/10.1021/ja00486a073openalex-snapshot
Homogeneous catalysis of the water gas shift reaction using a platinum chloride-tin chloride system
inferredcites →https://doi.org/10.1021/ja00523a020openalex-snapshot
Homogeneous catalysis of the water gas shift reaction using iron pentacarbonyl
inferredcites →https://doi.org/10.1021/jp0272522openalex-snapshot
Structure of Solvated Fe(CO)5: FTIR Measurements and Density Functional Theory Calculations
inferredcites →https://doi.org/10.1021/om000854sopenalex-snapshot
Theoretical Study of the Proton Transfer between Water and [FeH(CO)4]- in Aqueous Solution and Relevance to the Water-Gas Shift Reaction Catalyzed by Iron Pentacarbonyl in the Condensed Phase
inferredcites →https://doi.org/10.1021/om00121a042openalex-snapshot
Hydride transfer to transition-metal carbonyls in the gas phase. The heat of formation of (CO)4FeCHO-
inferredcites →https://doi.org/10.1021/om9810504openalex-snapshot
Theoretical Study of Gas-Phase Reactions of Fe(CO)5 with OH- and Their Relevance for the Water Gas Shift Reaction
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.467146openalex-snapshot
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
inferredcites →https://doi.org/10.1063/1.468839openalex-snapshot
Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]
inferredcites →https://doi.org/10.1063/1.478045openalex-snapshot
Density functional study of the Fe–CO bond dissociation energies of Fe(CO)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
inferredcites →https://doi.org/10.1103/physrevlett.80.890openalex-snapshot
Comment on “Generalized Gradient Approximation Made Simple”
inferredcites →https://doi.org/10.1246/cl.1976.863openalex-snapshot
CATALYTIC FIXATION OF CARBON DIOXIDE TO FORMIC ACID BY TRANSITION-METAL COMPLEXES UNDER MILD CONDITIONS
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/ange.201601803openalex-snapshot
Die Wassergas‐Shift‐Reaktion in der organischen Synthese
inferred← citeshttps://doi.org/10.1002/ange.201811627openalex-snapshot
Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium‐Based Catalysts: A Computational and Experimental Study
inferred← citeshttps://doi.org/10.1002/anie.201601803openalex-snapshot
Harnessing the Power of the Water‐Gas Shift Reaction for Organic Synthesis
inferred← citeshttps://doi.org/10.1002/anie.201811627openalex-snapshot
Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium‐Based Catalysts: A Computational and Experimental Study
inferred← citeshttps://doi.org/10.1002/cphc.201300828openalex-snapshot
H2S‐Mediated Thermal and Photochemical Methane Activation
inferred← citeshttps://doi.org/10.1007/s00894-018-3915-1openalex-snapshot
Formation of metallacarboxylic acids through Hieber base reaction. A density functional theory study
inferred← citeshttps://doi.org/10.1007/s10563-016-9212-zopenalex-snapshot
Theoretical Study of the Water-Gas Shift Reaction Catalyzed by Tungsten Carbonyls
inferred← citeshttps://doi.org/10.1007/s10876-017-1231-zopenalex-snapshot
Mechanisms of the Water–Gas Shift Reaction Catalyzed by Carbonyl Complexes Mo(CO)6 and Mo2(CO)10: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2015.11.108openalex-snapshot
Mechanisms of the water–gas shift reaction catalyzed by carbonyl complexes M(CO) 6 (M = Mo, W)
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2024.05.025openalex-snapshot
Density functional theory study on the mechanism of water gas shift reaction catalyzed by molybdenum hexacarbonyl in aqueous solvent
inferred← citeshttps://doi.org/10.1016/j.mcat.2024.114054openalex-snapshot
Density functional theory study of Fe(CO)5 and [Fe(CO)6]2+ complexes catalyzed the water gas shift reaction extended to the aqueous phase
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b00301openalex-snapshot
Mechanisms of the Water–Gas Shift Reaction Catalyzed by Ruthenium Carbonyl Complexes
inferred← citeshttps://doi.org/10.1021/cs400809kopenalex-snapshot
Reverse Water-Gas Shift Reaction Catalyzed by Mononuclear Ru Complexes
inferred← citeshttps://doi.org/10.1021/ic201788topenalex-snapshot
A Theoretical Study of Metal–Metal Cooperativity in the Homogeneous Water Gas Shift Reaction
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/ic5021127openalex-snapshot
Theoretical Study on the Mechanism of Aqueous Synthesis of Formic Acid Catalyzed by [Ru3+]-EDTA Complex
inferred← citeshttps://doi.org/10.1021/je500201yopenalex-snapshot
High-Throughput Calculations of Molecular Properties in the MedeA Environment: Accuracy of PM7 in Predicting Vibrational Frequencies, Ideal Gas Entropies, Heat Capacities, and Gibbs Free Energies of Organic Molecules
inferred← citeshttps://doi.org/10.1021/jp204776aopenalex-snapshot
Theoretical Investigation of Water Gas Shift Reaction Catalyzed by Iron Group Carbonyl Complexes M(CO)5(M = Fe, Ru, Os)
inferred← citeshttps://doi.org/10.1039/c4dt02966fopenalex-snapshot
A contribution to the rational design of Ru(CO) 3 Cl 2 L complexes for in vivo delivery of CO
inferred← citeshttps://doi.org/10.1039/c6dt02759hopenalex-snapshot
Novel synthesis of a four-electron-reduced ruthenium( ii ) NADH-type complex under water-gas-shift reaction conditions
inferred← citeshttps://doi.org/10.1039/c7dt03473copenalex-snapshot
DFT methods applied to answer the question: how accurate is the ligand acidity constant method for estimating the p K a of transition metal hydride complexes MHXL 4 when X is varied?
inferred← citeshttps://doi.org/10.1039/c7sc00703eopenalex-snapshot
Revisiting the polytopal rearrangements in penta-coordinate d 7 -metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization
inferred← citeshttps://doi.org/10.1039/c8re00334copenalex-snapshot
Syn-gas from waste: the reduction of CO 2 with H 2 S
inferred← citeshttps://doi.org/10.1134/s207020511704013xopenalex-snapshot
Theoretical investigation of water gas shift reaction catalyzed by [Ru(CO)3Cl3]– in solution
inferred← citeshttps://doi.org/10.70675/8d0909cbzc8f9z41bbz99c6z8e738ef2914fopenalex-snapshot
Création de liaisons C-C et C-N par transformation catalytique du CO et du CO₂
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