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On the Nature of Hydrophobic Organic Compound Adsorption to Smectite Minerals Using the Example of Hexachlorobenzene-Montmorillonite Interactions

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

inferredcites →https://doi.org/10.1002/etc.3854openalex-snapshot
Can solid-phase microextraction replace solvent extraction for water analysis in fish bioconcentration studies with highly hydrophobic organic chemicals?
inferredcites →https://doi.org/10.1006/jcis.1999.6254openalex-snapshot
The Lower Cation Exchange Capacity Limit of Montmorillonite
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Molecular structure and spectroscopic properties of polyaromatic heterocycles by first principle calculations: spectroscopic shifts with the adsorption of thiophene on phyllosilicate surface
inferredcites →https://doi.org/10.1007/s00894-017-3302-3openalex-snapshot
Cation–π interactions in competition with cation microhydration: a theoretical study of alkali metal cation–pyrene complexes
inferredcites →https://doi.org/10.1007/s11356-008-0051-yopenalex-snapshot
Part IV—sorption of hydrophobic organic contaminants
inferredcites →https://doi.org/10.1007/s11356-022-24818-4openalex-snapshot
Adsorption of the hydrophobic organic pollutant hexachlorobenzene to phyllosilicate minerals
inferredcites →https://doi.org/10.1016/0043-1354(79)90201-xopenalex-snapshot
Sorption of hydrophobic pollutants on natural sediments
inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
inferredcites →https://doi.org/10.1016/j.cis.2007.12.008openalex-snapshot
Adsorption of a few heavy metals on natural and modified kaolinite and montmorillonite: A review
inferredcites →https://doi.org/10.1016/j.commatsci.2016.01.009openalex-snapshot
Influence of interlayer cations on structural properties of montmorillonites: A dispersion-corrected density functional theory study
inferredcites →https://doi.org/10.1016/j.ecoenv.2018.11.041openalex-snapshot
Interfacial formation of environmentally persistent free radicals—A theoretical investigation on pentachlorophenol activation on montmorillonite in PM2.5
inferredcites →https://doi.org/10.1016/j.scitotenv.2005.03.014openalex-snapshot
Hexachlorobenzene in the global environment: Emissions, levels, distribution, trends and processes
inferredcites →https://doi.org/10.1016/j.scitotenv.2014.11.087openalex-snapshot
Interaction of polar and nonpolar organic pollutants with soil organic matter: Sorption experiments and molecular dynamics simulation
inferredcites →https://doi.org/10.1016/j.susc.2020.121795openalex-snapshot
Adsorption of polycyclic aromatic hydrocarbons on FeOOH polymorphs: A theoretical study
inferredcites →https://doi.org/10.1016/s0927-0256(98)00083-4openalex-snapshot
A DFT study on clay–cation–water interaction in montmorillonite and beidellite
inferredcites →https://doi.org/10.1016/s1002-0160(17)60338-2openalex-snapshot
Fate Processes of Chlorobenzenes in Soil and Potential Remediation Strategies: A Review
inferredcites →https://doi.org/10.1021/acs.est.6b01778openalex-snapshot
Sorption of Highly Hydrophobic Organic Chemicals to Organic Matter Relevant for Fish Bioconcentration Studies
inferredcites →https://doi.org/10.1021/acs.est.8b00425openalex-snapshot
Transformation of Polycyclic Aromatic Hydrocarbons and Formation of Environmentally Persistent Free Radicals on Modified Montmorillonite: The Role of Surface Metal Ions and Polycyclic Aromatic Hydrocarbon Molecular Properties
inferredcites →https://doi.org/10.1021/acs.est.9b00145openalex-snapshot
Sorption of Non-ionic Aromatic Organics to Mineral Micropores: Interactive Effect of Cation Hydration and Mineral Charge Density
inferredcites →https://doi.org/10.1021/acs.jpca.9b04821openalex-snapshot
Sphere Encapsulated Monte Carlo: Obtaining Minimum Energy Configurations of Large Aromatic Systems
inferredcites →https://doi.org/10.1021/es00147a010openalex-snapshot
Water solubility enhancement of some organic pollutants and pesticides by dissolved humic and fulvic acids
inferredcites →https://doi.org/10.1021/es025809lopenalex-snapshot
Global Distribution and Budget of PCBs and HCB in Background Surface Soils: Implications for Sources and Environmental Processes
inferredcites →https://doi.org/10.1021/es104182aopenalex-snapshot
Probing the Specific Sorption Sites on Montmorillonite Using Nitroaromatic Compounds and Hexafluorobenzene
inferredcites →https://doi.org/10.1021/jp001029sopenalex-snapshot
A Novel Method to Correlate Layer Charge and the Catalytic Activity of 2:1 Dioctahedral Smectite Clays in Terms of Binding the Interlayer Cation Surrounded by Monohydrate
inferredcites →https://doi.org/10.1063/1.1864932openalex-snapshot
Geometry optimization of periodic systems using internal coordinates
inferredcites →https://doi.org/10.1063/1.1949201openalex-snapshot
A post-Hartree–Fock model of intermolecular interactions
inferredcites →https://doi.org/10.1063/1.2065267openalex-snapshot
A density-functional model of the dispersion interaction
inferredcites →https://doi.org/10.1063/1.2190220openalex-snapshot
A post-Hartree-Fock model of intermolecular interactions: Inclusion of higher-order corrections
inferredcites →https://doi.org/10.1063/1.3382344openalex-snapshot
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1063/1.4752196openalex-snapshot
Assessment of ten DFT methods in predicting structures of sheet silicates: Importance of dispersion corrections
inferredcites →https://doi.org/10.1088/1361-648x/ab7fd8openalex-snapshot
Distinguishing between chemical bonding and physical binding using electron localization function (ELF)
inferredcites →https://doi.org/10.1103/physrev.136.b864openalex-snapshot
Inhomogeneous Electron Gas
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-snapshot
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.87.064110openalex-snapshot
Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1107/s0021889811038970openalex-snapshot
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
inferredcites →https://doi.org/10.1180/claymin.2016.051.2.07openalex-snapshot
Effect of layer charge on the crystalline swelling of Na+, K+ and Ca2+ montmorillonites: DFT and molecular dynamics studies
inferredcites →https://doi.org/10.1346/ccmn.2016.0640401openalex-snapshot
Investigation of the Interlayer Organization of Water And Ions in Smectite from the Combined Use of Diffraction Experiments and Molecular Simulations. A Review of Methodology, Applications, and Perspectives
inferredcites →https://doi.org/10.2138/am-2002-0720openalex-snapshot
The nature of disorder in montmorillonite by simulation of X-ray powder patterns

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← backgroundhttps://doi.org/10.5281/zenodo.10810485zenodo-depositor-declared
inferred← citeshttps://doi.org/10.1002/jcc.70042openalex-snapshot
Theoretical Study on Adsorption of Halogenated Benzenes on Montmorillonites Modified With M(I)/M( II ) Cations
inferred← citeshttps://doi.org/10.1002/jpln.202400130openalex-snapshot
Clay Mineral–Hydrophobic Organic Compound Interactions in Miniaturized Adsorption Experiments: Exemplary Studies With Bentonites and Hexachlorobenzene
inferred← citeshttps://doi.org/10.1016/j.envres.2023.117913openalex-snapshot
Plant biomass extracted eco-friendly natural surfactant enhanced bio-electrokinetic remediation of crude oil contaminated soil
inferred← citeshttps://doi.org/10.3390/agronomy15051049openalex-snapshot
Influence of Different Soil Types on Dissolved Organic Matter Spectral Characteristics of Soil Leachate After Green Manure Tilling in Saline Soils
inferred← citeshttps://doi.org/10.3390/min13060763openalex-snapshot
Study on the Combined Behaviour of Montmorillonite and Carbonate Mineralizing Bacteria on Lead Retention and Fixation
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