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Structure of Hydrated Kaolinite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal–O–H Angle Bending Terms
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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inferred← citeshttps://doi.org/10.1021/acs.langmuir.3c03532openalex-snapshot
Molecular Mechanisms of Sorbed Ion Effects during Boehmite Particle Aggregation
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c01157openalex-snapshot
Molecular Dynamics Simulation of the Interaction within the Carboxymethyl Cellulose-Modified Montmorillonite Lamellae at Aggressive CuCl 2 Concentrations
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c00646openalex-snapshot
CO2 Molecular Behaviors at Kaolinite–Geofluid Interfaces: The Role of Edge Defects in Relation to Geologic Carbon Sequestration
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c00966openalex-snapshot
Unveiling the Structure and Dynamics of Water Confined in Colloidal Boehmite Suspensions
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c02040openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.langmuir.6c01952openalex-snapshot
A Molecular Dynamics Study of Aqueous Na+/Mg2+ Intercalation Behavior in Vanadium Oxide Nanopores
inferred← citeshttps://doi.org/10.1021/acsami.1c22035openalex-snapshot
In-Depth Study of Heavy Metal Removal by an Etidronic Acid-Functionalized Layered Double Hydroxide
inferred← citeshttps://doi.org/10.1021/acsomega.1c04384openalex-snapshot
Clay Swelling: Role of Cations in Stabilizing/Destabilizing Mechanisms
inferred← citeshttps://doi.org/10.1021/acssuschemeng.2c01985openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acssuschemeng.3c08280openalex-snapshot
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inferred← citeshttps://doi.org/10.1029/2025jb033456openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41467-024-46962-wopenalex-snapshot
The initial stages of cement hydration at the molecular level
inferred← citeshttps://doi.org/10.1039/c9cp00851aopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/d1en00066gopenalex-snapshot
Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica
inferred← citeshttps://doi.org/10.1039/d3cp03133kopenalex-snapshot
Surface/interfacial transport through pores control desalination mechanisms in 2D carbon-based membranes
inferred← citeshttps://doi.org/10.1051/e3sconf/202454407009openalex-snapshot
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inferred← citeshttps://doi.org/10.1051/e3sconf/202456919005openalex-snapshot
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inferred← citeshttps://doi.org/10.1061/9780784484692.024openalex-snapshot
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inferred← citeshttps://doi.org/10.1061/jggefk.gteng-12317openalex-snapshot
All-Atomic Modeling of the Compaction of Montmorillonite Clays: Fabric Evolution and Energy Conversion
inferred← citeshttps://doi.org/10.1063/5.0083075openalex-snapshot
Hydrogen-bonding and nuclear quantum effects in clays
inferred← citeshttps://doi.org/10.1063/5.0288662openalex-snapshot
Evaluation of interfacial affinity between surface-modified metal oxide and solvent mixture using molecular dynamics simulations
inferred← citeshttps://doi.org/10.1080/08927022.2025.2598392openalex-snapshot
Transferability and expansion of the clayNN model
inferred← citeshttps://doi.org/10.1515/zpch-2023-0252openalex-snapshot
Synthesis of doped metal sulfide nanoparticles and their graphene reinforced nanohybrid for Pb(II) detection
inferred← citeshttps://doi.org/10.1631/jzus.a2300645openalex-snapshot
A molecular dynamics simulation study on the tensile and compressive behavior of hydrated kaolinite
inferred← citeshttps://doi.org/10.2138/am-2021-7867openalex-snapshot
Polytypism in semi-disordered lizardite and amesite by low-dose HAADF-STEM
inferred← citeshttps://doi.org/10.23889/suthesis.58754openalex-snapshot
Surface Chemistry of Halloysite Nanotubes. As investigated by adsorption reactions and imaging analysis
inferred← citeshttps://doi.org/10.3390/app132412975openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ma18102176openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ma18174049openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/min11010012openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/min13030408openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/min13081018openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/polym14183851openalex-snapshot
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inferred← citeshttps://doi.org/10.70675/8dc7e237zbc56z4e60z96a8z30869c046384openalex-snapshot
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inferred← citeshttps://doi.org/10.70675/b6b2a637z6bfcz48dfz9cb4z0957226ec950openalex-snapshot
Modélisation moléculaire de solutions silicatées en milieux alcalins
inferred← citeshttps://doi.org/10.7185/gold2023.20035openalex-snapshot
Nanoconfined water in the 10-Å phase at subduction zone conditions: Classical and ab initio MD simulations up to 7 GPa and 800 K
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