A review on emerging contaminants in wastewaters and the environment: Current knowledge, understudied areas and recommendations for future monitoring
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journal
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April 2015 |
A review on the occurrence of micropollutants in the aquatic environment and their fate and removal during wastewater treatment
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journal
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March 2014 |
Exposure to endocrine-disrupting chemicals in the USA: a population-based disease burden and cost analysis
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journal
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December 2016 |
Burden of disease and costs of exposure to endocrine disrupting chemicals in the European Union: an updated analysis
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journal
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March 2016 |
Sorption phenomena in subsurface systems: Concepts, models and effects on contaminant fate and transport
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journal
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May 1991 |
The Challenge of Micropollutants in Aquatic Systems
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journal
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August 2006 |
Behavior Assessment Model for Trace Organics in Soil: I. Model Description1
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journal
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January 1983 |
Sorption nonideality during organic contaminant transport in porous media
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journal
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January 1989 |
Sorption of hydrophobic pollutants on natural sediments
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journal
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January 1979 |
A Physical Concept of Soil-Water Equilibria for Nonionic Organic Compounds
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journal
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November 1979 |
Sorption of polynuclear aromatic hydrocarbons by sediments and soils
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journal
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December 1980 |
Semi-empirical estimation of sorption of hydrophobic pollutants on natural sediments and soils
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journal
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January 1981 |
Sorption of amino- and carboxy-substituted polynuclear aromatic hydrocarbons by sediments and soils
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journal
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February 1982 |
Sorption of α‐Naphthol: Implications Concerning the Limits of Hydrophobic Sorption
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journal
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January 1981 |
Reevaluation of Partitioning as a Mechanism of Nonionic Chemicals Adsorption in Soils
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journal
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January 1983 |
Organic Pollutant Sorption in Aquatic Systems
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journal
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June 1984 |
Mineral contributions to atrazine and alachlor sorption in soil mixtures of variable organic carbon and clay content
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journal
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September 1993 |
Polyfunctional Ionogenic Compound Sorption: Challenges and New Approaches To Advance Predictive Models
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journal
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August 2012 |
Partitioning Behavior of Bisphenol Alternatives BPS and BPAF Compared to BPA
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journal
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March 2017 |
The Chemistry of Soils
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book
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December 2016 |
Hydrophobicity of Siloxane Surfaces in Smectites as Revealed by Aromatic Hydrocarbon Adsorption from Water
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journal
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January 1991 |
Surface geochemistry of the clay minerals
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journal
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March 1999 |
Interactions of Oxytetracycline with a Smectite Clay: A Spectroscopic Study with Molecular Simulations
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journal
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October 2010 |
Complex Formation of Soil Minerals with Nitroaromatic Explosives and other π-Acceptors
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journal
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January 1998 |
Potential Contributions of Smectite Clays and Organic Matter to Pesticide Retention in Soils
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journal
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June 2001 |
Beyond clay: towards an improved set of variables for predicting soil organic matter content
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journal
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February 2018 |
Molecular-Level Interactions in Soils and Sediments: The Role of Aromatic π-Systems
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journal
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May 2009 |
Specific Adsorption of Nitroaromatic Explosives and Pesticides to Clay Minerals
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journal
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January 1996 |
In Situ Spectroscopic Investigations of Adsorption Mechanisms of Nitroaromatic Compounds at Clay Minerals
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journal
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December 1996 |
Cation–π Bonding
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journal
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January 2004 |
Characterization of Cation–π Interactions in Aqueous Solution Using Deuterium Nuclear Magnetic Resonance Spectroscopy
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journal
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January 2004 |
Probing the microscopic hydrophobicity of smectite surfaces. A vibrational spectroscopic study of dibenzo-p-dioxin sorption to smectite
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journal
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January 2009 |
Effects of salinity and organic matter on the partitioning of perfluoroalkyl acid (PFAs) to clay particles
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journal
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January 2011 |
Sodium-Calcium and Sodium-Magnesium Exchange on Wyoming Bentonite in Perchlorate and Chloride Background Ionic Media
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journal
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January 1983 |
Relationship Between Cation Exchange Selectivity and Crystalline Swelling in Expanding 2:1 Phyllosilicates
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journal
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January 1997 |
Mechanisms for the Adsorption of Substituted Nitrobenzenes by Smectite Clays
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journal
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November 2001 |
Plane-Wave Density Functional Theoretic Study of Formation of Clay-Polymer Nanocomposite Materials by Self-Catalyzed in Situ Intercalative Polymerization
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journal
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November 2001 |
Adsorption of Dinitrophenol Herbfrom Water by Montmorillonites
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journal
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February 2002 |
Influence of Smectite Hydration and Swelling on Atrazine Sorption Behavior
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journal
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May 2005 |
The origin of the interaction of 1,3,5-trinitrobenzene with siloxane surface of clay minerals
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journal
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August 2006 |
Molecular simulations to estimate thermodynamics for adsorption of polar organic solutes to montmorillonite
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journal
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August 2007 |
Mechanisms Associated with the High Adsorption of Dibenzo-p-dioxin from Water by Smectite Clays
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journal
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March 2009 |
Sorptive Characteristics of Organomontmorillonite toward Organic Compounds: A Combined LFERs and Molecular Dynamics Simulation Study
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journal
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August 2011 |
Enhanced interlayer trapping of a tetracycline antibiotic within montmorillonite layers in the presence of Ca and Mg
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journal
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February 2016 |
Structures and mechanisms in clay nanopore trapping of structurally-different fluoroquinolone antimicrobials
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journal
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March 2018 |
Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca 2+ -montmorillonite clay surfaces
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journal
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November 2016 |
Atomistic Modeling of the Sorption Free Energy of Dioxins at Clay–Water Interfaces
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journal
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November 2013 |
Integrating Structural and Thermodynamic Mechanisms for Sorption of PCBs by Montmorillonite
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journal
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February 2015 |
Atomistic Prediction of Sorption Free Energies of Cationic Aromatic Amines on Montmorillonite: A Linear Interaction Energy Method
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journal
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June 2014 |
Escaping free-energy minima
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journal
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September 2002 |
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
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journal
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November 2008 |
A Recipe for the Computation of the Free Energy Barrier and the Lowest Free Energy Path of Concerted Reactions †
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journal
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April 2005 |
Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions
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journal
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February 2006 |
Molecular dynamics simulations of cesium adsorption on illite nanoparticles
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journal
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March 2017 |
Phthalate ester plasticizers: a new class of marine pollutant
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journal
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January 1978 |
Occurrence and microbial degradation of phthalate esters in Taiwan river sediments
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journal
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December 2002 |
Occurrence of phthalates and bisphenol A and F in the environment
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journal
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March 2002 |
Distribution of PAEs in the middle and lower reaches of the Yellow River, China
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journal
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December 2006 |
Short-term toxicity study of di-(2-ethylhexyl) phthalate in rats
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journal
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January 1977 |
Antiandrogenic effects in male rats perinatally exposed to a mixture of di(2-ethylhexyl) phthalate and di(2-ethylhexyl) adipate
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journal
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April 2005 |
Developmental Toxicity Evaluation of Dietary Di(2-ethylhexyl) phthalate in Fischer 344 Rats and CD-1 Mice
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journal
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January 1988 |
Effect of orally administered plasticizers and polyvinyl chloride stabilizers in the rat
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journal
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October 1973 |
Adsorption of Dimethyl Phthalate on Marine Sediments
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journal
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September 2004 |
Sorption behavior of 17 phthalic acid esters on three soils: Effects of pH and dissolved organic matter, sorption coefficient measurement and QSPR study
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journal
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September 2013 |
Competitive adsorption and transport of phthalate esters in the clay layer of JiangHan plain, China
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journal
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September 2013 |
Sorption of organic contaminants to a low carbon subsurface core
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journal
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January 1985 |
Sorption Behavior of Phthalic Acid Esters on Reference Soils Evaluated by Soil Column Chromatography
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journal
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June 2010 |
Adsorption of phthalate esters on soil at near saturation conditions
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journal
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October 2000 |
Effects of fundamental differences between batch and miscible displacement techniques on sorption distribution coefficient
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journal
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September 2001 |
Measurement of water solubilities, octanol/water partition coefficients and vapor pressures of commercial phthalate esters
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journal
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October 1985 |
The distribution of octahedral cations in the 2:1 layers of dioctahedral smectites studied by oblique-texture electron diffraction
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journal
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April 1984 |
Analysis and Implications of the Edge Structure of Dioctahedral Phyllosilicates
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journal
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January 1988 |
Molecular Dynamics Simulations of Anion Exclusion in Clay Interlayer Nanopores
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journal
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August 2016 |
Swelling Behavior of Na- and Ca-Montmorillonite up to 150°C by in situ X-ray Diffraction Experiments
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journal
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April 2009 |
Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects
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journal
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August 2015 |
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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journal
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January 2004 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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journal
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January 1996 |
The missing term in effective pair potentials
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journal
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November 1987 |
Ion-water interaction potentials derived from free energy perturbation simulations
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journal
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October 1990 |
Computer simulations of NaCl association in polarizable water
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journal
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March 1994 |
The static dielectric constant of water at pressures up to 20 kbar and temperatures to 1273 K: Experiment, simulations, and empirical equations
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journal
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January 1995 |
Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics
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journal
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January 2003 |
Connecting the Molecular Scale to the Continuum Scale for Diffusion Processes in Smectite-Rich Porous Media
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journal
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March 2010 |
Molecular Dynamics Simulations of Water and Sodium Diffusion in Smectite Interlayer Nanopores as a Function of Pore Size and Temperature
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journal
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December 2013 |
Stern Layer Structure and Energetics at Mica–Water Interfaces
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journal
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April 2017 |
Molecular Models for the Intercalation of Methane Hydrate Complexes in Montmorillonite Clay
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journal
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September 2004 |
Interlayer Structure and Dynamics of Alkylammonium-intercalated Smectites with and without Water: A Molecular Dynamics Study
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journal
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December 2007 |
Molecular Dynamics Simulations of Pyrophyllite Edge Surfaces: Structure, Surface Energies, and Solvent Accessibility
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journal
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August 2015 |
Mesoscale properties of clay aggregates from potential of mean force representation of interactions between nanoplatelets
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journal
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April 2014 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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journal
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March 1995 |
Using collective variables to drive molecular dynamics simulations
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journal
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December 2013 |
P3M3DP—The three-dimensional periodic particle-particle/ particle-mesh program
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journal
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April 1980 |
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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journal
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March 1977 |
VMD: Visual molecular dynamics
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journal
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February 1996 |
A simple method for partial purification of reference clays
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journal
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October 2005 |
Ion adsorption and diffusion in smectite: Molecular, pore, and continuum scale views
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journal
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March 2016 |
New Insights on the Distribution of Interlayer Water in Bi-Hydrated Smectite from X-ray Diffraction Profile Modeling of 00 l Reflections
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journal
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June 2005 |
Adsorption of diethyl phthalate ester to clay minerals
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journal
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January 2015 |
Adsorption of Atrazine on Smectites
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journal
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January 1992 |
Modeling the acid–base surface chemistry of montmorillonite
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journal
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August 2007 |
The titration of clay minerals
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journal
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May 2004 |
Cesium-Adsorption Method for Measuring Accessible Structural Surface Charge
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journal
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November 1991 |
Sensitivity of the acid–base properties of clays to the methods of preparation and measurement
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journal
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September 2005 |
Simulated surface tensions of common water models
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journal
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June 2007 |
Thermodynamics of organic cation exchange selectivity in smectites
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journal
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April 2007 |
Alternatives for the determination of the soil adsorption coefficient, KOC, of non-ionicorganic compounds — a review
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journal
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June 1997 |
Theoretical and experimental relationships between soil adsorption, octanol-water partition coefficients, water solubilities, bioconcentration factors, and the parachor
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journal
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September 1981 |
Relationship between the soil sorption constants for pesticides and their physicochemical properties
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journal
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June 1989 |
Estimation of organic chemical sorption by soils
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journal
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December 1990 |
Estimating soil/sediment partition coefficients for organic compounds by high performance reverse phase liquid chromatography
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journal
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July 1988 |
Sediment-water partition coefficients and HPLC retention factors of aromatic hydrocarbons
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journal
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January 1987 |
Partition equilibriums of nonionic organic compounds between soil organic matter and water
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journal
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April 1983 |
Sorption of organic substances by soils and sediments
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journal
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January 1984 |
Comparison of screening methods for the estimation of adsorption coefficients on soil
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journal
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June 1996 |
QSAR modelling of soil sorption. Improvements and systematics of log KOC vs. log KOW correlations
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journal
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December 1995 |
Regression models for some solute distribution equilibria in the terrestrial environment
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journal
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March 1992 |
Determination of the adsorption coefficient (KOC) of some aromatics for soil by RP-HPLC on two immobilized humic acid phases
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journal
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January 1990 |
Development of QSARs in terrestrial ecotoxicology: earthworm toxicity and soil sorption of chlorophenols, chlorobenzenes and dichloroaniline
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journal
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December 1991 |
Examination of silica-salicylic acid and silica-8-hydroxyquinoline HPLC stationary phases for estimation of the adsorption coefficient of soil for some aromatic hydrocarbons
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journal
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May 1995 |
The estimation of the adsorption coefficient (Koc) for soils by high performance liquid chromatography
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journal
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January 1988 |
Prediction of the soil adsorption coefficient Koc for aromatic pollutants
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journal
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January 1990 |
Transport of nonpolar organic compounds from surface water to groundwater. Laboratory sorption studies
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journal
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November 1981 |
Adsorption and Molecular Fractionation of Dissolved Organic Matter on Iron-Bearing Mineral Matrices of Varying Crystallinity
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journal
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January 2018 |
Chemical Force Spectroscopy Evidence Supporting the Layer-by-Layer Model of Organic Matter Binding to Iron (oxy)Hydroxide Mineral Surfaces
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journal
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August 2015 |
The contentious nature of soil organic matter
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journal
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November 2015 |
A conceptual model of organo-mineral interactions in soils: self-assembly of organic molecular fragments into zonal structures on mineral surfaces
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journal
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June 2007 |
Computer Simulation Study of the Structural Stability and Materials Properties of DNA-Intercalated Layered Double Hydroxides
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journal
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April 2008 |