Leveraging nanochannels for universal, zero-order drug delivery in vivo
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December 2013 |
Ueber die Anwendung des Satzes vom Virial in der kinetischen Theorie der Gase
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January 1881 |
Self‐Diffusion in Liquid Water to −31°C
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December 1972 |
Molecular Dynamics Simulations of Water Structure and Diffusion in Silica Nanopores
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May 2012 |
Thermodynamics of the Hydration Shell. 1. Excess Energy of a Hydrophobic Solute
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October 1994 |
A New Transferable Forcefield for Simulating the Mechanics of CaCO 3 Crystals
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September 2011 |
Role of attractive methane-water interactions in the potential of mean force between methane molecules in water
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June 2008 |
Computer simulations of NaCl association in polarizable water
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March 1994 |
Molecular Structure and Dynamics in Thin Water Films at the Silica and Graphite Surfaces
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July 2008 |
Microfabricated nanochannel implantable drug delivery devices: trends, limitations and possibilities
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July 2006 |
Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study
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August 2016 |
Scaling behaviour for the water transport in nanoconfined geometries
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April 2014 |
GROMACS: Fast, flexible, and free
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January 2005 |
Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation
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April 2009 |
Molecular Dynamics Studies of Interfacial Water at the Alumina Surface
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December 2010 |
An information theory model of hydrophobic interactions.
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August 1996 |
Comparison of simple potential functions for simulating liquid water
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July 1983 |
Diffusion of Methane, Ethane, Propane, and n-Butane in Water from 25 to 43°
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November 1965 |
AB initio hartree-fock study of the MgO(001) surface
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October 1986 |
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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September 2015 |
Computer simulation of methane—water solutions. Evidence for a temperature-dependent hydrophobic attraction
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May 1993 |
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
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March 1998 |
Perspectives for use of hydraulic fracturing in oil and gas production
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December 2014 |
Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study
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February 2006 |
Correlation corrected periodic Hartree–Fock study of the interactions between water and the (001) magnesium oxide surface
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August 1993 |
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K
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November 2001 |
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
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October 2009 |
Flow enhancement in nanotubes of different materials and lengths
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January 2014 |
Evaluation of surfactant performance in fracturing fluids for enhanced well productivity in unconventional reservoirs using Rock-on-a-Chip approach
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November 2015 |
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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January 2004 |
A molecular dynamics method for simulations in the canonical ensemble
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June 1984 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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January 1996 |
Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic
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February 2013 |
What is principal component analysis?
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March 2008 |
Thermodynamics of confined nano-phases
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July 2014 |
Hydrophobicity of Proteins and Interfaces: Insights from Density Fluctuations
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July 2011 |
Impact of solvent granularity and layering on tracer hydrodynamics in confinement
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January 2016 |
Atomistic Simulation of the Dissociative Adsorption of Water on Calcite Surfaces
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August 2003 |
Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
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January 2008 |
Quiet high-resolution computer models of a plasma
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February 1974 |
Transport Properties and Distribution of Water Molecules Confined in Hydrophobic Nanopores and Nanoslits
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August 2004 |
Umbrella sampling: Umbrella sampling
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May 2011 |
Structure and Orientation of Interfacial Water Determine Atomic Force Microscopy Results: Insights from Molecular Dynamics Simulations
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February 2011 |
Dynamics of water in confined space (porous alumina): QENS study
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August 2001 |
Preferential Adsorption from Liquid Water–Ethanol Mixtures in Alumina Pores
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June 2014 |
Water blocking damage in hydraulically fractured tight sand gas reservoirs: An example from Perth Basin, Western Australia
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June 2012 |
Molecular Structure and Dynamics in Thin Water Films at Metal Oxide Surfaces: Magnesium, Aluminum, and Silicon Oxide Surfaces
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June 2012 |
Aqueous Methane in Slit-Shaped Silica Nanopores: High Solubility and Traces of Hydrates
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February 2014 |
Self-Diffusion of Water and Simple Alcohols in Single-Walled Aluminosilicate Nanotubes
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May 2009 |
The Mobility of Water Molecules through Hydrated Pores
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April 2012 |
Canonical dynamics: Equilibrium phase-space distributions
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March 1985 |
Interfacial water on crystalline silica: a comparative molecular dynamics simulation study
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March 2011 |
Water and methane in shale rocks: Flow pattern effects on fluid transport and pore structure
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August 2015 |
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
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October 1992 |
Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores
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July 2016 |
Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data
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February 2013 |
Formation Damage Issues Impacting the Productivity of Low Permeability, Low Initial Water Saturation Gas Producing Formations
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April 2005 |
Free Energy of Adsorption of Water and Metal Ions on the {101̄4} Calcite Surface
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August 2004 |
A smooth particle mesh Ewald method
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November 1995 |
The missing term in effective pair potentials
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November 1987 |
Water chemisorption and reconstruction of the MgO surface
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October 1995 |
Thermodynamic properties and diffusion of water + methane binary mixtures
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March 2014 |