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Adsorption of β-d-glucose and cellobiose on kaolinite surfaces: Density functional theory (DFT) approach

https://doi.org/10.1016/j.clay.2012.11.002
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What this work says

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

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Polymer clay self‐assembly complexes on paper
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DFT study of methanol conversion to hydrocarbons in a zeolite catalyst
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Static and dynamic structure of water in hydrated kaolinites. II. The dynamic structure
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Charge effects in the adsorption of polyacrylamides on sodium kaolinite and its flocculation
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Competitive and cooperative adsorption of polymers and surfactants on kaolinite surfaces
inferredcites →https://doi.org/10.1016/0166-6622(88)80009-xopenalex-snapshot
Adsorption properties of Ca2+ on Na-kaolinite and its effect on flocculation using polyacrylamides
inferredcites →https://doi.org/10.1016/j.clay.2004.12.005openalex-snapshot
Engineered clay products for the paper industry
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Properties of paper coated with kaolin: The influence of the rheological modifier
inferredcites →https://doi.org/10.1016/j.susc.2007.12.032openalex-snapshot
Water on the hydroxylated (001) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer
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Traditional and new applications for kaolin, smectite, and palygorskite: a general overview
inferredcites →https://doi.org/10.1016/s0272-8842(98)00050-9openalex-snapshot
Desorption of water during the drying of clay minerals. Enthalpy and entropy variation
inferredcites →https://doi.org/10.1016/s0892-6875(02)00034-1openalex-snapshot
Dispersion of kaolinite and talc in aqueous solution: nano-morphology and nano-bubble entrapment
inferredcites →https://doi.org/10.1016/s0927-0256(00)00008-2openalex-snapshot
DFT studies: from molecules and molecular environments to surfaces and solids
inferredcites →https://doi.org/10.1016/s0927-7757(96)03881-2openalex-snapshot
The adsorption of starch derivatives onto kaolin
inferredcites →https://doi.org/10.1016/s0927-7757(97)00222-7openalex-snapshot
Adsorption and rheological studies of sodium carboxymethyl cellulose onto kaolin: effect of degree of substitution
inferredcites →https://doi.org/10.1016/s1386-1425(02)00033-1openalex-snapshot
Modification of kaolinite surfaces through mechanochemical treatment—a mid-IR and near-IR spectroscopic study
inferredcites →https://doi.org/10.1021/cm060227eopenalex-snapshot
Hydrogen Bond in Layered Materials: Structural and Vibrational Properties of Kaolinite by a Periodic B3LYP Approach
inferredcites →https://doi.org/10.1021/cm9505299openalex-snapshot
Aluminosilicate Nanocomposite Materials. Poly(ethylene glycol)−Kaolinite Intercalates
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Theory of the hydrogen bond
inferredcites →https://doi.org/10.1021/j100190a047openalex-snapshot
Periodic ab initio Hartree-Fock calculations of the low-symmetry mineral kaolinite
inferredcites →https://doi.org/10.1021/ja00037a055openalex-snapshot
Gaussian density functional calculations on hydrogen-bonded systems
inferredcites →https://doi.org/10.1021/jp0124802openalex-snapshot
Upper Limit of the O−H···O Hydrogen Bond. Ab Initio Study of the Kaolinite Structure
inferredcites →https://doi.org/10.1021/jp026391gopenalex-snapshot
Ab Initio Molecular Dynamics Study of Adsorption Sites on the (001) Surfaces of 1:1 Dioctahedral Clay Minerals
inferredcites →https://doi.org/10.1021/jp037121gopenalex-snapshot
Ab Initio Molecular Dynamics Study of a Monomolecular Water Layer on Octahedral and Tetrahedral Kaolinite Surfaces
inferredcites →https://doi.org/10.1021/jp0377073openalex-snapshot
On the Accuracy of DFT for Describing Hydrogen Bonds: Dependence on the Bond Directionality
inferredcites →https://doi.org/10.1021/jp810448topenalex-snapshot
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inferredcites →https://doi.org/10.1021/jp961577zopenalex-snapshot
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Theoretical Study of Adsorption Sites on the (001) Surfaces of 1:1 Clay Minerals
inferredcites →https://doi.org/10.1021/la0201422openalex-snapshot
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Modification of the Interlayer Surface of Kaolinite with Methoxy Groups
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Computer simulation of water molecules at kaolinite and silica surfaces
inferredcites →https://doi.org/10.1039/b211844kopenalex-snapshot
Organic modification of the interlayer surface of kaolinite with propanediols by transesterificationElectronic supplementary information (ESI) available: Fig. S1: XRD patterns of (A) methoxy-modified kaolinite, (B) Kao–1,3PDint, (C) Kao–1,3PDint washed by ethanol, (D) Kao–1,3PDgraft and (E)…
inferredcites →https://doi.org/10.1039/b606107aopenalex-snapshot
Correlation of melting points of inositols with hydrogen bonding patterns
inferredcites →https://doi.org/10.1039/jm9960601679openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.1316015openalex-snapshot
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Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
inferredcites →https://doi.org/10.1063/1.1876152openalex-snapshot
Application of numerical basis sets to hydrogen bonded systems: A density functional theory study
inferredcites →https://doi.org/10.1063/1.2790009openalex-snapshot
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit
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/10.1063/1.464521openalex-snapshot
Structure and hydrogen bond dynamics of water–dimethyl sulfoxide mixtures by computer simulations
inferredcites →https://doi.org/10.1071/ch9682367openalex-snapshot
The surface chemistry of kaolinite. I. Surface leaching
inferredcites →https://doi.org/10.1071/ch9721843openalex-snapshot
The surface chemistry of kaolinite. II. Catalysis of n-butane decomposition
inferredcites →https://doi.org/10.1071/ch9721857openalex-snapshot
The surface chemistry of kaolinite. III. Microelectrophoresis
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.55.r10157openalex-snapshot
H2 O hydrogen bonding in density-functional theory
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1346/ccmn.1983.0310504openalex-snapshot
Hydrogen Atom Positions in Kaolinite by Neutron Profile Refinement
inferredcites →https://doi.org/10.1346/ccmn.1983.0310505openalex-snapshot
Atom Positions in Highly Ordered Kaolinite
inferredcites →https://doi.org/10.1346/ccmn.1984.0320511openalex-snapshot
Static and Dynamic Structure of Water in Hydrated Kaolinites. I. The Static Structure
inferredcites →https://doi.org/10.1346/ccmn.1988.0360303openalex-snapshot
Verification of the Triclinic Crystal Structure of Kaolinite
inferredcites →https://doi.org/10.1346/ccmn.1989.0370401openalex-snapshot
Rietveld Refinement of Non-Hydrogen Atomic Positions in Kaolinite
inferredcites →https://doi.org/10.1346/ccmn.1993.0410304openalex-snapshot
Rietveld Refinement and Fourier-Transform Infrared Spectroscopic Study of the Dickite Structure at Low Temperature
inferredcites →https://doi.org/10.1346/ccmn.1993.0410613openalex-snapshot
Rietveld Refinement of the Kaolinite Structure at 1.5 K
inferredcites →https://doi.org/10.1346/ccmn.1999.0470411openalex-snapshot
Refinement of the Kaolinite Structure From Single-Crystal Synchrotron Data
inferredcites →https://doi.org/10.2138/am-1997-7-801openalex-snapshot
All-atom ab initio energy minimization of the kaolinite crystal structure
inferredcites →https://doi.org/10.2138/am-2001-11-1201openalex-snapshot
First-principles modeling of the infrared spectrum of kaolinite
inferredcites →https://doi.org/10.2138/am-2004-11-1201openalex-snapshot
First-principle study of polytype structures of 1:1 dioctahedral phyllosilicates

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Tungsten recovery from a skarn with a low separation contrast : Contribution of molecular modelling in the flotation of calcium minerals
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