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Insertion of carbon dioxide into a rhodium(III)–hydride bond: a theoretical study †
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199608)17:11<1359::aid-jcc9>3.0.co;2-lopenalex-snapshot
Basis sets for transition metals: Optimized outer p functions
inferredcites →https://doi.org/10.1002/(sici)1097-461x(1996)57:3<481::aid-qua22>3.0.co;2-5openalex-snapshot
A theoretical study on CO2 insertion into an M(bond)H bond (M = Rh and Cu)
inferredcites →https://doi.org/10.1002/anie.199307391openalex-snapshot
[RhH] and [Rh][O2CH] Complexes as Models for the Catalytically Active Intermediates in the Rh‐Catalyzed Hydrogenation of CO2 to HCOOH
inferredcites →https://doi.org/10.1002/anie.199517421openalex-snapshot
σ Metathesis as a Critical Step for the Transition Metal Catalyzed Formation of Formic Acid from CO2 and H2? An Ab Initio Investigation
inferredcites →https://doi.org/10.1021/ar00072a001openalex-snapshot
The path of chemical reactions - the IRC approach
inferredcites →https://doi.org/10.1021/cr00088a005openalex-snapshot
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
inferredcites →https://doi.org/10.1021/ic00111a044openalex-snapshot
Ab Initio MO Study of the CO2 Insertion into the Cu(I)-R Bond (R = H, CH3, or OH). Comparison between the CO2 Insertion and the C2H4 Insertion
inferredcites →https://doi.org/10.1021/ic00269a043openalex-snapshot
Insertion reactions of carbon dioxide with square-planar rhodium alkyl and aryl complexes
inferredcites →https://doi.org/10.1021/ic00312a016openalex-snapshot
Ab initio MO study of carbon dioxide insertion into a copper(I)-hydrogen bond. Semiquantitative understanding of changes in geometry, bonding, and electron distribution during the reaction
inferredcites →https://doi.org/10.1021/ja00039a024openalex-snapshot
Rhodium-catalyzed hydrogenation of carbon dioxide to formic acid
inferredcites →https://doi.org/10.1021/ja953097bopenalex-snapshot
Homogeneous Catalysis in Supercritical Fluids: Hydrogenation of Supercritical Carbon Dioxide to Formic Acid, Alkyl Formates, and Formamides
inferredcites →https://doi.org/10.1021/ja961579xopenalex-snapshot
Mechanistic Aspects of the Rhodium-Catalyzed Hydrogenation of CO 2 to Formic AcidA Theoretical and Kinetic Study ,
inferredcites →https://doi.org/10.1063/1.448799openalex-snapshot
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
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.4655650openalex-extracted
Computational Unraveling the Effect of the Positioning Groups of Ir(Iii) Complexes on Catalytic Activity
inferred← citeshttps://doi.org/10.1002/tcr.201600086openalex-snapshot
Cooperative Catalysis of Combined Systems of Transition‐Metal Complexes with Lewis Acids: Theoretical Understanding
inferred← citeshttps://doi.org/10.1016/b0-08-045047-4/00097-2openalex-snapshot
Rhodium Organometallics
inferred← citeshttps://doi.org/10.1016/j.ccr.2013.07.025openalex-snapshot
‘Old Chemistries’ for new applications: Perspectives for development of precursors for MOCVD and ALD applications
inferred← citeshttps://doi.org/10.1016/j.tet.2024.133852openalex-snapshot
Computational unraveling of the effect of the positioning groups of Ir(III) complexes on catalytic activity
inferred← citeshttps://doi.org/10.1016/s0010-8545(99)00037-5openalex-snapshot
Application of transition metals in hydroformylation annual survey covering the year 1998
inferred← citeshttps://doi.org/10.1021/acs.accounts.4c00440openalex-snapshot
Kinetic Studies of CO2 Insertion into Metal–Element σ-Bonds
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.7b02315openalex-snapshot
Carbon Dioxide Insertion into Group 9 and 10 Metal–Element σ Bonds
inferred← citeshttps://doi.org/10.1021/acs.organomet.0c00676openalex-snapshot
Catalytic Coupling of CH4 with CO2 and CO by a Modified Human Carbonic Anhydrase Combined with Oriented External Electric Fields: Mechanistic Insights from DFT Calculations
inferred← citeshttps://doi.org/10.1021/acs.organomet.8b00011openalex-snapshot
Ni(I)-Hydride Catalyst for Hydrosilylation of Carbon Dioxide and Dihydrogen Generation: Theoretical Prediction and Exploration of Full Catalytic Cycle
inferred← citeshttps://doi.org/10.1021/acscatal.5b00185openalex-snapshot
Direct Hydrogenation of Carbon Dioxide by an Artificial Reductase Obtained by Substituting Rhodium for Zinc in the Carbonic Anhydrase Catalytic Center. A Mechanistic Study
inferred← citeshttps://doi.org/10.1021/cr980452iopenalex-snapshot
Theoretical Studies of Some Transition-Metal-Mediated Reactions of Industrial and Synthetic Importance
inferred← citeshttps://doi.org/10.1021/ic048501zopenalex-snapshot
Theoretical and Synthetic Investigations of Carbodiimide Insertions into Al−CH3 and Al−N(CH3)2 Bonds
inferred← citeshttps://doi.org/10.1021/ic501058jopenalex-snapshot
Generation of Dihydrogen Molecule and Hydrosilylation of Carbon Dioxide Catalyzed by Zinc Hydride Complex: Theoretical Understanding and Prediction
inferred← citeshttps://doi.org/10.1021/ja020063copenalex-snapshot
Theoretical Study of Rhodium(III)-Catalyzed Hydrogenation of Carbon Dioxide into Formic Acid. Significant Differences in Reactivity among Rhodium(III), Rhodium(I), and Ruthenium(II) Complexes
inferred← citeshttps://doi.org/10.1021/ja043697nopenalex-snapshot
Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects
inferred← citeshttps://doi.org/10.1021/ja9938027openalex-snapshot
Theoretical Study of Ruthenium-Catalyzed Hydrogenation of Carbon Dioxide into Formic Acid. Reaction Mechanism Involving a New Type of σ-Bond Metathesis
inferred← citeshttps://doi.org/10.1021/jacs.6b05128openalex-snapshot
Bottom-Up Construction of a CO 2 -Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex
inferred← citeshttps://doi.org/10.1021/om0003032openalex-snapshot
Regioselectivity of the Nucleophilic Addition to (η3-allyl) Palladium Complexes. A Theoretical Study
inferred← citeshttps://doi.org/10.1021/om000944xopenalex-snapshot
Promoting Effect of Water in Ruthenium-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid
inferred← citeshttps://doi.org/10.1039/b511080gopenalex-snapshot
Isolation of an intermediate in the insertion of a carbodiimide into a boron-aryl bond
inferred← citeshttps://doi.org/10.1039/b822677fopenalex-snapshot
Unusual selectivity of a (pincer)Ni-hydride reacting with CO2
inferred← citeshttps://doi.org/10.1039/c3dt50337bopenalex-snapshot
The reduction of carbon dioxide in iron biocatalyst catalytic hydrogenation reaction: a theoretical study
inferred← citeshttps://doi.org/10.1246/bcsj.20110128openalex-snapshot
Catalytic Hydrogenation of Carbon Dioxide with a Highly Active Hydride on Ir(III)–Pincer Complex: Mechanism for CO2 Insertion and Nature of Metal–Hydride Bond
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