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Influence of the functionalization of imidazole on its CO 2 uptake efficiency. A theoretical contribution

https://doi.org/10.1016/j.comptc.2015.09.010
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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/anie.201000431openalex-snapshot
Carbon Dioxide Capture: Prospects for New Materials
inferredcites →https://doi.org/10.1002/chem.200902144openalex-snapshot
Adsorption of CO 2 , CH 4 , and N 2 on Zeolitic Imidazolate Frameworks: Experiments and Simulations
inferredcites →https://doi.org/10.1002/cphc.200800583openalex-snapshot
Ab initio Study of the Interactions between CO2 and N‐Containing Organic Heterocycles
inferredcites →https://doi.org/10.1002/jcc.540050204openalex-snapshot
An approach to computing electrostatic charges for molecules
inferredcites →https://doi.org/10.1002/jcc.540110404openalex-snapshot
Atomic charges derived from semiempirical methods
inferredcites →https://doi.org/10.1002/qua.1030openalex-snapshot
Intramolecular basis set superposition errors
inferredcites →https://doi.org/10.1007/s00214-007-0254-1openalex-snapshot
Tuning the physisorption of molecular hydrogen: binding to aromatic, hetero-aromatic and metal-organic framework materials
inferredcites →https://doi.org/10.1007/s00214-015-1657-zopenalex-snapshot
Explicitly correlated interaction potential energy profile of imidazole + CO2 complex
inferredcites →https://doi.org/10.1007/s00894-012-1749-9openalex-snapshot
Computational investigation of carbon dioxide absorption in alkanolamine solutions
inferredcites →https://doi.org/10.1007/s10934-009-9320-5openalex-snapshot
An alternative activation method for the enhancement of methane storage capacity of nanoporous aluminium terephthalate, MIL-53(Al)
inferredcites →https://doi.org/10.1007/s11051-012-0793-9openalex-snapshot
Local intermolecular interactions for selective CO2 capture by zeolitic imidazole frameworks: energy decomposition analysis
inferredcites →https://doi.org/10.1016/j.micromeso.2015.06.035openalex-snapshot
Structural single and multiple molecular adsorption of CO 2 and H 2 O in zeolitic imidazolate framework (ZIF) crystals
inferredcites →https://doi.org/10.1021/ja809459eopenalex-snapshot
Control of Pore Size and Functionality in Isoreticular Zeolitic Imidazolate Frameworks and their Carbon Dioxide Selective Capture Properties
inferredcites →https://doi.org/10.1021/ja901061jopenalex-snapshot
Unprecedentedly High Selective Adsorption of Gas Mixtures in rho Zeolite-like Metal−Organic Framework: A Molecular Simulation Study
inferredcites →https://doi.org/10.1021/jp101531mopenalex-snapshot
Molecular Simulation Studies of Separation of CO 2 /N 2 , CO 2 /CH 4 , and CH 4 /N 2 by ZIFs
inferredcites →https://doi.org/10.1021/jp102574fopenalex-snapshot
Computational and Experimental Studies on the Adsorption of CO, N2, and CO2on Mg-MOF-74
inferredcites →https://doi.org/10.1021/jp1056072openalex-snapshot
Computational Investigation of Reactive to Nonreactive Capture of Carbon Dioxide by Oxygen-Containing Lewis Bases
inferredcites →https://doi.org/10.1021/jp202804gopenalex-snapshot
Experimental and Computational Study of Functionality Impact on Sodalite–Zeolitic Imidazolate Frameworks for CO2Separation
inferredcites →https://doi.org/10.1021/jz300047nopenalex-snapshot
Tuning Metal–Organic Frameworks with Open-Metal Sites and Its Origin for Enhancing CO2Affinity by Metal Substitution
inferredcites →https://doi.org/10.1039/b810189bopenalex-snapshot
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
inferredcites →https://doi.org/10.1039/c1ee01720aopenalex-snapshot
Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption
inferredcites →https://doi.org/10.1039/c4cp01292eopenalex-snapshot
Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interaction
inferredcites →https://doi.org/10.1039/c4ra00444bopenalex-snapshot
DFT studies for the evaluation of amine functionalized polystyrene adsorbents for selective adsorption of carbon dioxide
inferredcites →https://doi.org/10.1063/1.3120909openalex-snapshot
Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. I. Inductive effects on the aromatic ring
inferredcites →https://doi.org/10.1063/1.3276105openalex-snapshot
Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. II. Effect of polar and acidic substituents
inferredcites →https://doi.org/10.1063/1.456153openalex-snapshot
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
inferredcites →https://doi.org/10.1073/pnas.0602439103openalex-snapshot
Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
inferredcites →https://doi.org/10.1080/01496395.2014.918145openalex-snapshot
Equilibrium Adsorption Studies of CO2, CH4, and N2on Amine Functionalized Polystyrene
inferredcites →https://doi.org/10.1103/physrev.46.618openalex-snapshot
Note on an Approximation Treatment for Many-Electron Systems
inferredcites →https://doi.org/10.1126/science.1100103openalex-snapshot
Stabilization Wedges: Solving the Climate Problem for the Next 50 Years with Current Technologies
inferredcites →https://doi.org/10.1126/science.1152516openalex-snapshot
High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO 2 Capture

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.4670280openalex-extracted
CO2 Capture Using Silica-Immobilized Dicationic Ionic Liquids with Magnetic and Non-Magnetic Properties
inferred← citeshttps://doi.org/10.1002/cjce.22595openalex-snapshot
Comparative study between physicochemical characterization of biochar and metal organic frameworks (MOFs) as gas adsorbents
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.09.006openalex-snapshot
Stability of Van der Waals complexes of the greenhouse effect gases CH4 and SF6 with imidazole in gas mixtures containing CO2
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.11.005openalex-snapshot
Stability of van der Waals complexes of the greenhouse effect gases NH3, SO2 and CO with imidazole in gas mixtures containing CO2
inferred← citeshttps://doi.org/10.1016/j.comptc.2019.04.017openalex-snapshot
Trace benzene removal from vinyl acetate with ZIFs: A computational study
inferred← citeshttps://doi.org/10.1016/j.heliyon.2024.e29657openalex-snapshot
CO2 capture using silica-immobilized dicationic ionic liquids with magnetic and non-magnetic properties
inferred← citeshttps://doi.org/10.1016/j.jms.2026.112102openalex-snapshot
Methylation strengthens π–π CO2 stacking with polymethylated imidazoles
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b04977openalex-snapshot
Theoretical Study of the CO 2 Adsorption by Zeolitic Imidazolate Frameworks (ZIFs)
inferred← citeshttps://doi.org/10.1039/c6cp06036fopenalex-snapshot
The effect of gme topology on multicomponent adsorption in zeolitic imidazolate frameworks
inferred← citeshttps://doi.org/10.1098/rsos.181378openalex-snapshot
Impact of the functionalization onto structure transformation and gas adsorption of MIL-68(In)
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