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Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(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/adsc.200303152openalex-snapshot

Mechanistic Aspects of Formation of Chiral Ruthenium Hydride Complexes from 16‐Electron Ruthenium Amide Complexes and Formic Acid: Facile Reversible Decarboxylation and Carboxylation

inferredcites →https://doi.org/10.1002/anie.198806611openalex-snapshot

Carbon Dioxide as an Alternative C1 Synthetic Unit: Activation by Transition‐Metal Complexes

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/jcc.540080605openalex-snapshot

Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution.

inferredcites →https://doi.org/10.1002/jcc.540100504openalex-snapshot

Evaluation of the dispersion contribution to the solvation energy. A simple computational model in the continuum approximation

inferredcites →https://doi.org/10.1007/0-306-47718-1_4openalex-snapshot

Hydrogenation of Carbon Dioxide

inferredcites →https://doi.org/10.1016/0009-2614(93)80086-5openalex-snapshot

A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu

inferredcites →https://doi.org/10.1016/0009-2614(93)89068-sopenalex-snapshot

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inferredcites →https://doi.org/10.1016/0010-8545(95)01232-xopenalex-snapshot

Catalysts for the reactions of epoxides and carbon dioxide

inferredcites →https://doi.org/10.1016/0301-0104(81)85090-2openalex-snapshot

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inferredcites →https://doi.org/10.1016/s0010-8545(98)00200-8openalex-snapshot

Carbon dioxide and metal centres: from reactions inspired by nature to reactions in compressed carbon dioxide as solvent

inferredcites →https://doi.org/10.1021/cr00031a013openalex-snapshot

Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

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Homogeneous Hydrogenation of Carbon Dioxide

inferredcites →https://doi.org/10.1021/cr00087a003openalex-snapshot

Reactions of carbon dioxide with carbon-carbon bond formation catalyzed by transition-metal complexes

inferredcites →https://doi.org/10.1021/ic00111a044openalex-snapshot

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inferredcites →https://doi.org/10.1021/ic00285a005openalex-snapshot

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inferredcites →https://doi.org/10.1021/ic00312a016openalex-snapshot

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Rhodium-catalyzed hydrogenation of carbon dioxide to formic acid

inferredcites →https://doi.org/10.1021/ja00098a072openalex-snapshot

Catalytic Production of Dimethylformamide from Supercritical Carbon Dioxide

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inferredcites →https://doi.org/10.1021/ja020063copenalex-snapshot

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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 ,

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inferredcites →https://doi.org/10.1021/jp951762xopenalex-snapshot

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inferredcites →https://doi.org/10.1021/om0106837openalex-snapshot

Reductive Coupling of Carbonyl Compounds using Silole and Germole Dianions

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Direct formation of formic acid from carbon dioxide and dihydrogen using the [{Rh(cod)Cl} 2 ]–Ph 2 P(CH 2 ) 4 PPh 2 catalyst system

inferredcites →https://doi.org/10.1039/c39930001465openalex-snapshot

Hydrogenation of carbon dioxide to formic acid using water-soluble rhodium catalyststs

inferredcites →https://doi.org/10.1039/dt9940003047openalex-snapshot

An ab initio molecular-orbital study of insertion of CO 2 into a Rh I –H bond

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Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

inferredcites →https://doi.org/10.1063/1.438955openalex-snapshot

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inferredcites →https://doi.org/10.1063/1.448800openalex-snapshot

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inferredcites →https://doi.org/10.1063/1.448975openalex-snapshot

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inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot

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inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot

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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/10.1246/cl.1976.863openalex-snapshot

CATALYTIC FIXATION OF CARBON DIOXIDE TO FORMIC ACID BY TRANSITION-METAL COMPLEXES UNDER MILD CONDITIONS

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inferred← citeshttps://doi.org/10.1002/ange.201101292openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/ange.201104542openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/ange.201107352openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/ange.201202320openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/anie.201101292openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/anie.201104542openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/anie.201107352openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/anie.201202320openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/cssc.200800147openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/cssc.201200732openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/cssc.201200872openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/ejic.200700494openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/b978-0-08-097742-3.00806-5openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/b978-0-08-097774-4.00621-5openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/b978-0-08-097774-4.00820-2openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/b978-0-12-420221-4.00006-8openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/b978-0-12-420221-4.00007-xopenalex-snapshot

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inferred← citeshttps://doi.org/10.1016/b978-0-443-30072-1.00013-0openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.carbon.2018.10.060openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.cattod.2006.02.018openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.cattod.2006.02.024openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.cattod.2010.05.034openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.cclet.2018.06.021openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.ccst.2024.100322openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.comptc.2018.10.009openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.ica.2008.08.006openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.ica.2024.122147openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.inoche.2007.01.020openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jcat.2025.116508openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jcis.2020.10.117openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jcou.2016.05.002openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jcou.2022.101992openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jechem.2021.09.030openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jorganchem.2011.11.006openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jorganchem.2013.08.046openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jorganchem.2021.121842openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.jphotochem.2006.04.025openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.molcata.2012.05.013openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.poly.2014.09.023openalex-snapshot

Theoretical study on the reaction mechanism of carbon dioxide reduction to methanol using a homogeneous ruthenium(II) phosphine catalyst

inferred← citeshttps://doi.org/10.1016/j.rser.2025.116371openalex-snapshot

Advances in efficient homogeneous catalytic hydrogenation of CO2 to formic acid: Bridging carbon utilization with renewable hydrogen storage

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/j.tetlet.2008.10.078openalex-snapshot

Silver-catalyzed activation of internal propargylic alcohols in supercritical carbon dioxide: efficient and eco-friendly synthesis of 4-alkylidene-1,3-oxazolidin-2-ones

inferred← citeshttps://doi.org/10.1016/s1872-5813(07)60005-xopenalex-snapshot

Carbon dioxide hydrogenation catalyzed by ruthenium complexes immobilized on MCM-41

inferred← citeshttps://doi.org/10.1021/acs.accounts.8b00478openalex-snapshot

Single-Atom Catalysis toward Efficient CO2 Conversion to CO and Formate Products

inferred← citeshttps://doi.org/10.1021/acs.chemmater.7b01539openalex-snapshot

A Covalent Triazine Framework, Functionalized with Ir/N-Heterocyclic Carbene Sites, for the Efficient Hydrogenation of CO2 to Formate

inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00197openalex-snapshot

CO2 Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO2 Reduction

inferred← citeshttps://doi.org/10.1021/acs.energyfuels.3c05193openalex-snapshot

Hollow Hierarchical Pd/HNC Nanoreactor as a High-Performance Catalyst for CO2 Hydrogenation to Formate

inferred← citeshttps://doi.org/10.1021/acs.iecr.1c03970openalex-snapshot

Catalysis in Liquid Organic Hydrogen Storage: Recent Advances, Challenges, and Perspectives

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5b00469openalex-snapshot

Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6b00471openalex-snapshot

Toward Rational Design of 3d Transition Metal Catalysts for CO2 Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6b03080openalex-snapshot

Reaction Mechanism of Cu(I)-Mediated Reductive CO2 Coupling for the Selective Formation of Oxalate: Cooperative CO2 Reduction To Give Mixed-Valence Cu2(CO2•–) and Nucleophilic-Like Attack

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.8b00382openalex-snapshot

DFT Study on the Mechanism of Hydrogen Storage Based on the Formate-Bicarbonate Equilibrium Catalyzed by an Ir-NHC Complex: An Elusive Intramolecular C–H Activation

inferred← citeshttps://doi.org/10.1021/acs.joc.8b01807openalex-snapshot

Mechanistic Insights into the Nickel-Catalyzed Cross-Coupling Reaction of Benzaldehyde with Benzyl Alcohol via C–H Activation: A Theoretical Investigation

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c01277openalex-snapshot

Unlocking the Role of C Doping in a RuO2 Matrix in CO2 Methanation from a Combined Theoretical and Experimental Approach

inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b05065openalex-snapshot

Catalytic Hydrogenation of CO2 by Manganese Complexes: Role of π-Acceptor Ligands

inferred← citeshttps://doi.org/10.1021/acs.organomet.2c00453openalex-snapshot

Theoretical Study of Reaction Mechanisms of Carbon Dioxide with E–CH2–Z-Type Frustrated Lewis Pairs (E = C–Pb; Z = N–Bi)

inferred← citeshttps://doi.org/10.1021/acs.organomet.2c00522openalex-snapshot

Theoretical Study on the Formation of 2-Pyrone Derivatives from the Reaction of Alkynes with Carbon Dioxide in the Presence of Nickel Catalyst

inferred← citeshttps://doi.org/10.1021/acs.organomet.3c00342openalex-snapshot

Understanding the Influence of Lewis Acids on CO2 Hydrogenation: The Critical Effect Is on Formate Rotation

inferred← citeshttps://doi.org/10.1021/acs.organomet.5b00448openalex-snapshot

Theoretical Investigation of a Parallel Catalytic Cycle in CO2 Hydrogenation by (PNP)IrH3

inferred← citeshttps://doi.org/10.1021/acsami.9b11285openalex-snapshot

MgH2/CuxO Hydrogen Storage Composite with Defect-Rich Surfaces for Carbon Dioxide Hydrogenation

inferred← citeshttps://doi.org/10.1021/acscatal.0c01678openalex-snapshot

CO 2 Hydrogenation to Formate Catalyzed by Ru Coordinated with a N,P-Containing Polymer

inferred← citeshttps://doi.org/10.1021/acscatal.6b02899openalex-snapshot

Support Effects in Single-Atom Platinum Catalysts for Electrochemical Oxygen Reduction

inferred← citeshttps://doi.org/10.1021/acscatal.7b00312openalex-snapshot

Isolated Single-Atomic Ru Catalyst Bound on a Layered Double Hydroxide for Hydrogenation of CO2 to Formic Acid

inferred← citeshttps://doi.org/10.1021/acscatal.9b04558openalex-snapshot

Impact of the Coordination Environment on Atomically Dispersed Pt Catalysts for Oxygen Reduction Reaction

inferred← citeshttps://doi.org/10.1021/cr4002758openalex-snapshot

Catalysis for the Valorization of Exhaust Carbon: from CO 2 to Chemicals, Materials, and Fuels. Technological Use of CO 2

inferred← citeshttps://doi.org/10.1021/cs300448vopenalex-snapshot

Catalytic C–H Carboxylation of Terminal Alkynes with Carbon Dioxide

inferred← citeshttps://doi.org/10.1021/cs501019topenalex-snapshot

Tandem Isomerization-Decarboxylation for Converting Alkenoic Fatty Acids into Alkenes

inferred← citeshttps://doi.org/10.1021/ic1005715openalex-snapshot

Density Functional Theory Study on the Mechanism of the Reductive Cleavage of CO2 by a Bis-β-Diketoiminatediiron Dinitrogen Complex

inferred← citeshttps://doi.org/10.1021/ic101124qopenalex-snapshot

Hydride Ion Transfer from Ruthenium(II) Complexes in Water: Kinetics and Mechanism

inferred← citeshttps://doi.org/10.1021/ic102304mopenalex-snapshot

Carbon Monoxide Dehydrogenase Reaction Mechanism: A Likely Case of Abnormal CO2 Insertion to a Ni−H− Bond

inferred← citeshttps://doi.org/10.1021/ic200221aopenalex-snapshot

How Does the Nickel Pincer Complex Catalyze the Conversion of CO2 to a Methanol Derivative? A Computational Mechanistic Study

inferred← citeshttps://doi.org/10.1021/ic200602vopenalex-snapshot

Reaction Mechanism of the Reverse Water–Gas Shift Reaction Using First-Row Middle Transition Metal Catalysts L′M (M = Fe, Mn, Co): A Computational Study

inferred← citeshttps://doi.org/10.1021/ic5003429openalex-snapshot

σ-Bond Activation of Small Molecules and Reactions Catalyzed by Transition-Metal Complexes: Theoretical Understanding of Electronic Processes

inferred← citeshttps://doi.org/10.1021/ic500866dopenalex-snapshot

Kinetic Aspects for the Reduction of CO2and CS2with Mixed-Ligand Ruthenium(II) Hydride Complexes Containing Phosphine and Bipyridine

inferred← citeshttps://doi.org/10.1021/ic502904qopenalex-snapshot

CO2 Hydrogenation Catalyzed by Iridium Complexes with a Proton-Responsive Ligand

inferred← citeshttps://doi.org/10.1021/ic700470nopenalex-snapshot

Synthesis of Ruthenium(II) Complexes Containing Hydroxymethylphosphines and Their Catalytic Activities for Hydrogenation of Supercritical Carbon Dioxide

inferred← citeshttps://doi.org/10.1021/ja063671ropenalex-snapshot

Density Functional Theory Studies on the Mechanism of the Reduction of CO2 to CO Catalyzed by Copper(I) Boryl Complexes

inferred← citeshttps://doi.org/10.1021/ja103531zopenalex-snapshot

The Catalytic Role of N-Heterocyclic Carbene in a Metal-Free Conversion of Carbon Dioxide into Methanol: A Computational Mechanism Study

inferred← citeshttps://doi.org/10.1021/ja402039bopenalex-snapshot

Theoretical Study of Reactivity of Ge(II)-hydride Compound: Comparison with Rh(I)-Hydride Complex and Prediction of Full Catalytic Cycle by Ge(II)-hydride

inferred← citeshttps://doi.org/10.1021/ja5112749openalex-snapshot

Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions

inferred← citeshttps://doi.org/10.1021/ja801362eopenalex-snapshot

Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and Palladium(II)−Vinyl Complex? Theoretical Study

inferred← citeshttps://doi.org/10.1021/ja809724sopenalex-snapshot

Hydricities of d6 Metal Hydride Complexes in Water

inferred← citeshttps://doi.org/10.1021/ja903574eopenalex-snapshot

Catalytic Hydrogenation of Carbon Dioxide Using Ir(III)−Pincer Complexes

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/jp104890copenalex-snapshot

Carbon Dioxide Hydrogenation on Cu Nanoparticles

inferred← citeshttps://doi.org/10.1021/jp107730ropenalex-snapshot

Carbon Nanofibers Synthesized from Carbon Dioxide by Catalytic Hydrogenation on Ni−Na/Al2O3 Catalysts

inferred← citeshttps://doi.org/10.1021/jp209998ropenalex-snapshot

Formic Acid Dehydrogenation on Ni(111) and Comparison with Pd(111) and Pt(111)

inferred← citeshttps://doi.org/10.1021/jp210480copenalex-snapshot

CO2 Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis

inferred← citeshttps://doi.org/10.1021/om060307sopenalex-snapshot

Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Significant Acceleration by Water Molecules

inferred← citeshttps://doi.org/10.1021/om060797oopenalex-snapshot

Carbon Dioxide Reduction by Pincer Rhodium η2-Dihydrogen Complexes: Hydrogen-Binding Modes and Mechanistic Studies by Density Functional Theory Calculations

inferred← citeshttps://doi.org/10.1021/om060899eopenalex-snapshot

Simultaneous Tuning of Activity and Water Solubility of Complex Catalysts by Acid−Base Equilibrium of Ligands for Conversion of Carbon Dioxide

inferred← citeshttps://doi.org/10.1021/om100730hopenalex-snapshot

DFT Study on the Mechanism of the Activation and Cleavage of CO2 by (NHC)CuEPh3 (E = Si, Ge, Sn)

inferred← citeshttps://doi.org/10.1021/om200744aopenalex-snapshot

DFT Studies on the Carboxylation of the C–H Bond of Heteroarenes by Copper(I) Complexes

inferred← citeshttps://doi.org/10.1021/om2007584openalex-snapshot

DFT Studies on Reactions of CO2 with Niobium and Vanadium Nitride Complexes

inferred← citeshttps://doi.org/10.1021/om400881jopenalex-snapshot

Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κ C

inferred← citeshttps://doi.org/10.1021/om700849wopenalex-snapshot

A Mechanism Displaying Autocatalysis: The Hydrogenation of Acetophenone Catalyzed by RuH(S-binap)(app) Where app Is the Amido Ligand Derived from 2-Amino-2-(2-pyridyl)propane

inferred← citeshttps://doi.org/10.1021/om900202qopenalex-snapshot

Density Functional Theory Studies on the Reduction of CO2 to CO by a (NHC)Ni0 Complex

inferred← citeshttps://doi.org/10.1021/om901047eopenalex-snapshot

DFT Studies on the Carboxylation of Arylboronate Esters with CO2 Catalyzed by Copper(I) Complexes

inferred← citeshttps://doi.org/10.1038/s41467-017-01673-3openalex-snapshot

Direct catalytic hydrogenation of CO2 to formate over a Schiff-base-mediated gold nanocatalyst

inferred← citeshttps://doi.org/10.1039/b610812aopenalex-snapshot

Insertion reaction of carbon dioxide into Sn–OR bond. Synthesis, structure and DFT calculations of di- and tetranuclear isopropylcarbonato tin( iv ) complexes

inferred← citeshttps://doi.org/10.1039/c003220dopenalex-snapshot

‘(η6-arene)Ru(bis-NHC)’ complexes for the reduction of CO2 to formate with hydrogen and by transfer hydrogenation with iPrOH

inferred← citeshttps://doi.org/10.1039/c0dt00921kopenalex-snapshot

Germanium(ii) hydride mediated reduction of carbon dioxide to formic acid and methanol with ammonia borane as the hydrogen source

inferred← citeshttps://doi.org/10.1039/c1cs15008aopenalex-snapshot

Recent advances in catalytic hydrogenation of carbon dioxide

inferred← citeshttps://doi.org/10.1039/c2cc34542kopenalex-snapshot

Theoretical studies of reactions of carbon dioxide mediated and catalysed by transition metal complexes

inferred← citeshttps://doi.org/10.1039/c2sc21923aopenalex-snapshot

Long-range metal–ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid

inferred← citeshttps://doi.org/10.1039/c3cp52977kopenalex-snapshot

Theoretical study on the reaction of CO2 and 2-aminobenzonitrile to form quinazoline-2,4(1H,3H)-dione in water without any catalyst

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/10.1039/c3nj41146jopenalex-snapshot

Hydroxy-substituted pyridine-like N-heterocycles: versatile ligands in organometallic catalysis

inferred← citeshttps://doi.org/10.1039/c3ra41464gopenalex-snapshot

Sequential covalent bonding activation and general base catalysis: insight into N-heterocyclic carbene catalyzed formylation of N–H bonds using carbon dioxide and silane

inferred← citeshttps://doi.org/10.1039/c4cy00568fopenalex-snapshot

Mechanism of CO 2 hydrogenation to formates by homogeneous Ru-PNP pincer catalyst: from a theoretical description to performance optimization

inferred← citeshttps://doi.org/10.1039/c4dt00294fopenalex-snapshot

A DFT study of ruthenium pincer carboxylate complexes as potential catalysts for the direct carboxylation of arenes with CO 2 – meridional versus facial coordination

inferred← citeshttps://doi.org/10.1039/c4dt01551gopenalex-snapshot

Mechanistic insights into hydride transfer for catalytic hydrogenation of CO 2 with cobalt complexes

inferred← citeshttps://doi.org/10.1039/c4gc01754dopenalex-snapshot

Fixation of CO 2 into cyclic carbonates catalyzed by ionic liquids: a multi-scale approach

inferred← citeshttps://doi.org/10.1039/c5cy00667hopenalex-snapshot

Methanation of CO 2 and reverse water gas shift reactions on Ni/SiO 2 catalysts: the influence of particle size on selectivity and reaction pathway

inferred← citeshttps://doi.org/10.1039/c5gc02772aopenalex-snapshot

CO 2 activation and fixation: highly efficient syntheses of hydroxy carbamates over Au/Fe 2 O 3

inferred← citeshttps://doi.org/10.1039/c5nj01740hopenalex-snapshot

Mechanistic studies on the pH-controllable interconversion between hydrogen and formic acid in water: DFT insights

inferred← citeshttps://doi.org/10.1039/c6cy01219aopenalex-snapshot

An active, stable and recyclable Ru( ii ) tetraphosphine-based catalytic system for hydrogen production by selective formic acid dehydrogenation

inferred← citeshttps://doi.org/10.1039/c6dt02897gopenalex-snapshot

A comparative study on the CO 2 hydrogenation catalyzed by Ru dihydride complexes: (PMe 3 ) 4 RuH 2 and (Me 2 PCH 2 CH 2 PMe 2 ) 2 RuH 2

inferred← citeshttps://doi.org/10.1039/c7cy00737jopenalex-snapshot

Aliphatic Mn–PNP complexes for the CO 2 hydrogenation reaction: a base free mechanism

inferred← citeshttps://doi.org/10.1039/c7ra13486jopenalex-snapshot

Insight into catalytic reduction of CO 2 to methane with silanes using Brookhart's cationic Ir( iii ) pincer complex

inferred← citeshttps://doi.org/10.1039/c8cc03157fopenalex-snapshot

Transfer hydrogenation of carbon dioxide and bicarbonate from glycerol under aqueous conditions

inferred← citeshttps://doi.org/10.1039/c8cp06714gopenalex-snapshot

A computational study on ligand assisted vs. ligand participation mechanisms for CO 2 hydrogenation: importance of bifunctional ligand based catalysts

inferred← citeshttps://doi.org/10.1039/c9cp03287hopenalex-snapshot

Theoretical analysis of oxygen reduction reaction activity on single metal (Ni, Pd, Pt, Cu, Ag, Au) atom supported on defective two-dimensional boron nitride materials

inferred← citeshttps://doi.org/10.1039/c9cp03288fopenalex-snapshot

Structural inhomogeneity as a factor promoting the homogenous catalysis of CO 2 hydrogenation by (PMe 3 ) 4 RuH 2

inferred← citeshttps://doi.org/10.1039/c9nr06135eopenalex-snapshot

Tiny Ni particles dispersed in platelet SBA-15 materials induce high efficiency for CO 2 methanation

inferred← citeshttps://doi.org/10.1039/d0cy02064hopenalex-snapshot

Unraveling the catalytically preferential pathway between the direct and indirect hydrogenation of CO 2 to CH 3 OH using N-heterocyclic carbene-based Mn (i) catalysts: a theoretical approach

inferred← citeshttps://doi.org/10.1039/d0gc01089hopenalex-snapshot

Eco-friendly upconversion of limestone into value-added calcium formate

inferred← citeshttps://doi.org/10.1039/d0gc01958eopenalex-snapshot

Efficient transfer hydrogenation of carbonate salts from glycerol using water-soluble iridium N-heterocyclic carbene catalysts

inferred← citeshttps://doi.org/10.1039/d0nj01377copenalex-snapshot

Gold incorporated hematite nanocatalyst for solvent-free CO 2 fixation under atmospheric pressure

inferred← citeshttps://doi.org/10.1039/d1ma00431jopenalex-snapshot

A ruthenium-inserted hydrotalcite (Ru-HT) heterogeneous catalyst: kinetic studies on the selective hydrogenation of carbon dioxide to formic acid

inferred← citeshttps://doi.org/10.1039/d5cc01194aopenalex-snapshot

A highly active sulfur based pincer ruthenium catalyst for CO 2 hydrogenation

inferred← citeshttps://doi.org/10.1039/d5cs00186bopenalex-snapshot

Homogeneous catalytic hydrogenation of CO 2 – amino acid-based capture and utilization

inferred← citeshttps://doi.org/10.1063/1.4929470openalex-snapshot

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

inferred← citeshttps://doi.org/10.1080/00268976.2012.718381openalex-snapshot

Quantum chemical studies on a series of transition metal carbon dioxide complexes: Metal–carbon bonding and electronic structures

inferred← citeshttps://doi.org/10.1080/01614940.2021.1968197openalex-snapshot

Catalytic valorization of CO2 by hydrogenation: current status and future trends

inferred← citeshttps://doi.org/10.1080/01614940.2026.2666905openalex-snapshot

The trade-off between carbon-based materials and efficient CO2 utilization: Catalytic advances towards cycloaddition of CO2 with epoxides to cyclic carbonates

inferred← citeshttps://doi.org/10.1142/s0219633613300012openalex-snapshot

FORMIC ACID DEHYDROGENATION ON SURFACES — A REVIEW OF COMPUTATIONAL ASPECT

inferred← citeshttps://doi.org/10.11606/t.46.2022.tde-26102022-110258openalex-snapshot

Uso de catalisadores de Ir e Rh em técnicas para hidrogenação de CO>sub<2>/sub< e Furfural

inferred← citeshttps://doi.org/10.1177/17475198251313648openalex-snapshot

Review on activation of small molecules (dihydrogen, carbon dioxide, and dinitrogen) by various transition metal complexes

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

inferred← citeshttps://doi.org/10.1246/bcsj.20150119openalex-snapshot

Theoretical and Computational Study of a Complex System Consisting of Transition Metal Element(s): How to Understand and Predict Its Geometry, Bonding Nature, Molecular Property, and Reaction Behavior

inferred← citeshttps://doi.org/10.1246/bcsj.20160084openalex-snapshot

Theoretical Study of the Mechanism for Direct Addition of Hydride to CO2 on Ruthenium Complexes: Nature of Ru–H Bond and Effect of Hydrogen Bonding

inferred← citeshttps://doi.org/10.1246/cl.160013openalex-snapshot

Hydrogenation of scCO2 to Formic Acid Catalyzed by Heterogeneous Ruthenium(III)/Al2O3 Catalysts

inferred← citeshttps://doi.org/10.12794/metadc283790openalex-snapshot

Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation

inferred← citeshttps://doi.org/10.1360/n032017-00196openalex-snapshot

Application of single-atom catalysts in carbon dioxide reduction

inferred← citeshttps://doi.org/10.1360/n972014-01252openalex-snapshot

In situ catalytic hydrogenation of carbon dioxide

inferred← citeshttps://doi.org/10.14393/ufu.di.2023.254openalex-snapshot

Complexos fosfinicos/diiminicos de rutenio II: ensaios na captura e transformacao catalitica do CO2

inferred← citeshttps://doi.org/10.1515/pesd-2016-0022openalex-snapshot

Carbon Sequestration: Hydrogenation of CO2 to Formic Acid

inferred← citeshttps://doi.org/10.3390/catal12070760openalex-snapshot

Substituent’s Effects of PNP Ligands in Ru(II)-Catalyzed CO2 Hydrogenation to Formate: Theoretical Analysis Considering Steric Hindrance and Promotion of Hydrogen Bonding

inferred← citeshttps://doi.org/10.5772/48658openalex-snapshot

Recent Advances in Transition Metal-Catalysed Homogeneous Hydrogenation of Carbon Dioxide in Aqueous Media

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