Nanogeochemistry: Nanostructures, emergent properties and their control on geochemical reactions and mass transfers
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journal
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June 2014 |
Adsorption of copper (II) on mesoporous silica: the effect of nano-scale confinement
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June 2018 |
Effects of nano-confinement on Zn(II) adsorption to nanoporous silica
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November 2018 |
Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction
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journal
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February 2016 |
Shales at all scales: Exploring coupled processes in mudrocks
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journal
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March 2017 |
Protection of Mesopore-Adsorbed Organic Matter from Enzymatic Degradation
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July 2004 |
Arsenic Removal Using Mesoporous Alumina Prepared via a Templating Method
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journal
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February 2004 |
Aqueous NaCl and CsCl Solutions Confined in Crystalline Slit-Shaped Silica Nanopores of Varying Degree of Protonation
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December 2011 |
Nanoconfined Electrolyte Solutions in Porous Hydrophilic Silica Membranes
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May 2013 |
Molecular Dynamics Simulations of Water Uptake into a Silica Nanopore
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January 2015 |
Changes in density and surface tension of water in silica pores
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May 2000 |
Dependence of Water Dynamics upon Confinement Size
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January 2001 |
A trapped water network in nanoporous material: the role of interfaces
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January 2011 |
Water properties under nano-scale confinement
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June 2019 |
Molecular Dynamics Simulation of Liquid Water Confined inside Graphite Channels: Dielectric and Dynamical Properties
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November 2006 |
Dielectric Constant of Water Confined in a Nanocavity
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June 2001 |
Analysis of Water in Confined Geometries and at Interfaces
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journal
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June 2010 |
Clay, Water, and Salt: Controls on the Permeability of Fine-Grained Sedimentary Rocks
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August 2017 |
Characterization of multi-scale microstructural features in Opalinus Clay
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April 2013 |
Effects of pore size on water dynamics in mesoporous silica
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April 2020 |
Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores
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March 2021 |
Characterization of metal adsorption variability in a sand and gravel aquifer, Cape Cod, Massachusetts, U.S.A.
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April 1996 |
Synthesis and characterization of iron oxide-coated silica and its effect on metal adsorption
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February 2005 |
Triblock Copolymer Syntheses of Mesoporous Silica with Periodic 50 to 300 Angstrom Pores
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January 1998 |
Nonionic Triblock and Star Diblock Copolymer and Oligomeric Surfactant Syntheses of Highly Ordered, Hydrothermally Stable, Mesoporous Silica Structures
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June 1998 |
The surface chemistry of amorphous silica. Zhuravlev model
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journal
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November 2000 |
A model of surface site types on oxide and silicate minerals based on crystal chemistry; implications for site types and densities, multi-site adsorption, surface infrared spectroscopy, and dissolution kinetics
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journal
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May 1998 |
Characterization of the Porous Structure of SBA-15
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July 2000 |
The Isoelectric Points of Solid Oxides, Solid Hydroxides, and Aqueous Hydroxo Complex Systems
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April 1965 |
Surface charge development of porous silica in aqueous solution
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journal
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August 1972 |
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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January 2004 |
Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores
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journal
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May 2012 |
Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO 2 /water interfaces: Force field for amorphous-SiO 2 /water interfaces
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December 2011 |
Molecular Dynamics Study of the Electric Double Layer and Nonlinear Spectroscopy at the Amorphous Silica–Water Interface
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June 2019 |
Preferential Adsorption in Mixed Electrolytes Confined by Charged Amorphous Silica
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June 2019 |
Molecular Dynamics Simulations of Water, Silica, and Aqueous Mixtures in Bulk and Confinement
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July 2018 |
Thermodynamic Driving Forces for Dye Molecule Position and Orientation in Nanoconfined Solvents
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September 2014 |
The Dissociated Amorphous Silica Surface: Model Development and Evaluation
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journal
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October 2010 |
Simulation of Forces between Humid Amorphous Silica Surfaces: A Comparison of Empirical Atomistic Force Fields
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December 2012 |
Structure and dynamics of water confined in silica nanopores
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journal
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November 2011 |
Surface chemical heterogeneity modulates silica surface hydration
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March 2018 |
Characterization of hydroxylated amorphous silica: a numerical approach
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February 2018 |
Propane–Water Mixtures Confined within Cylindrical Silica Nanopores: Structural and Dynamical Properties Probed by Molecular Dynamics
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September 2017 |
Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution
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April 2014 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Surface Structure and Stability of Partially Hydroxylated Silica Surfaces
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journal
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April 2017 |
Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes
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journal
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January 2018 |
Molecular Dynamics Simulations of Water Structure and Diffusion in a 1 nm Diameter Silica Nanopore as a Function of Surface Charge and Alkali Metal Counterion Identity
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July 2018 |
Interfacial water on crystalline silica: a comparative molecular dynamics simulation study
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March 2011 |
Aqueous CO 2 Solutions at Silica Surfaces and within Nanopore Environments. Insights from Isobaric–Isothermal Molecular Dynamics
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June 2012 |
Quartz/Aqueous Electrolyte Solution Interface: Molecular Dynamic Simulation and Interfacial Potential Measurements
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September 2018 |
Computer Simulations of Quartz (101)–Water Interface over a Range of pH Values
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journal
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April 2015 |
Dynamical Properties of Water and Ions at the Quartz (101)–Water Interface at a Range of Solution Conditions: A Classical Molecular Dynamics Study
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journal
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January 2018 |
Molecular Dynamics Simulations of Quartz (101)–Water and Corundum (001)–Water Interfaces: Effect of Surface Charge and Ions on Cation Adsorption, Water Orientation, and Surface Charge Reversal
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journal
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November 2017 |
Investigating the Quartz (101̅0)/Water Interface using Classical and Ab Initio Molecular Dynamics
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July 2011 |
Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments
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December 2010 |
Structure of sodium sulphate aqueous solution/quartz interface: a molecular dynamics simulation
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February 2014 |
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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March 2019 |
Distinguishing between bulk and edge hydroxyl vibrational properties of 2 : 1 phyllosilicates via deuteration
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January 2019 |
A molecular dynamics simulation of a water model with intramolecular degrees of freedom
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journal
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January 1987 |
Investigation of Water Clusters Containing OH - and H 3 O + Ions in Atmospheric Conditions. A Molecular Dynamics Simulation Study
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June 2002 |
Computer simulations of NaCl association in polarizable water
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journal
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March 1994 |
Empirical Force Fields for Biologically Active Divalent Metal Cations in Water †
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journal
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January 2006 |
Solvent nuclear quantum effects in electron transfer reactions. III. Metal ions in water. Solute size and ligand effects
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journal
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June 2001 |
pH-dependent surface charging and points of zero charge. IV. Update and new approach
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journal
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September 2009 |
HOLE: A program for the analysis of the pore dimensions of ion channel structural models
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journal
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December 1996 |
Ewald summation for systems with slab geometry
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journal
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August 1999 |
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
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June 2005 |
IFEFFIT : interactive XAFS analysis and FEFF fitting
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journal
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March 2001 |
Multiple-scattering calculations of x-ray-absorption spectra
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July 1995 |
Polarized EXAFS, distance-valence least-squares modeling (DVLS), and quantitative texture analysis approaches to the structural refinement of Garfield nontronite
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May 1998 |
The speciation of Fe(II) and Fe(III) in natural waters
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August 1995 |
Adsorption of fe2+ and mn2+ on Silica, Gibbsite, and Humic Acids
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January 2004 |
Adsorption of Aqueous Crude Oil Components on the Basal Surfaces of Clay Minerals: Molecular Simulations Including Salinity and Temperature Effects
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September 2017 |
Ligand properties of surface silanol groups. I. surface complex formation with Fe3+, Cu2+, Cd2+, and Pb2+
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journal
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May 1976 |
In Situ Structural Characterization of Ferric Iron Dimers in Aqueous Solutions: Identification of μ-Oxo Species
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May 2013 |
Hydrolysis of inorganic iron(III) salts
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February 1984 |
XAFS Spectroscopy Study of Cu(II) Sorption on Amorphous SiO2and γ-Al2O3: Effect of Substrate and Time on Sorption Complexes
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December 1998 |
Adsorption and Precipitation of Aqueous Zn(II) on Alumina Powders
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November 2000 |
Iron (III)-silica interactions in aqueous solution: insights from X-ray absorption fine structure spectroscopy
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October 2003 |
In Situ Observations of Nanoparticle Early Development Kinetics at Mineral−Water Interfaces
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November 2010 |