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type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111
has manifestation of work	http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111/issue_43/m/print http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111/issue_43/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society Copyright © 2007 Keith E. Gubbins
issue	43
Rights Holder	American Chemical Society Keith E. Gubbins
is Is Part Of of	Interfacial Properties and Adsorption of Polymer−Solvent Binary Mixtures On the Microheterogeneity in Neat and Aqueous Amides: A Molecular Dynamics Study Hydration Structure and Interfacial Properties of Water near a Hydrophobic Solute from aFundamental Measure Density Functional Theory Studies of a Lattice Model of Water Confined in a Slit Pore Capturing the Solubility Behavior of CO2 in Ionic Liquids by a Simple Model Nanoscale Curvature Effect on Ordering of N2 Molecules Adsorbed on Single Wall CarbonNanotube Crossover from Normal to Inverse Temperature Dependence in the Adsorption of NonionicSurfactants at Hydrophilic Surfaces and Pore Walls Osmotic Second Virial Coefficients and Phase Diagrams for Aqueous Proteins from aMuch-Improved Poisson−Boltzmann Equation Publications of Keith E. Gubbins (2002−2007) H3O+Cl- Pair Association in Steam and Highly Compressible Aqueous Environments Fourier's Law for a Granular Fluid Order−Disorder Phase Transitions in Adsorbed Films. I. Monolayer and Bilayer Films ofSquare Symmetry Estimation of Ionic Conductivity and Viscosity of Ionic Liquids Using a QSPR Model Study of Conformational Switching in Polyalanine at Solid SurfacesUsing Molecular Simulation Prediction of the Vapor−Liquid Interfacial Tension of Nonassociating and AssociatingFluids with the SAFT-VR Density Functional Theory Integral Equation Theory of Adsorption in Templated Materials: Influence of Molecular Attraction Molecular Dynamics Simulation of Heterogeneous Nucleation and Growth of Argon atPolyethylene Films Hydration of Molecular Ions: A Molecular Dynamics Study with a SPC/E Water Model Simulating Silica Aerogels with a Coarse-Grained Flexible Model and Langevin Dynamics Solution Behavior of Perfluoroalkanes and Perfluoroalkylalkane Surfactants in n-Octane The Water Forcefield: Importance of Dipolar and Quadrupolar Interactions Molecular Dynamics Study on Diameter Effect in Structure of Ethanol Molecules Confinedin Single-Walled Carbon Nanotubes Effect of Morphological Defects on Gas Adsorption in Nanoporous Silicas Phase Behavior of Lennard-Jones Fluids in Slit-like Pores with Walls Modified byPreadsorbed Molecules: A Density Functional Approach HRX-SAFT Equation of State for Fluid Mixtures: New Analytical Formulation Integral Equations for the Pair Structure: An Efficient Method for Studying the Potentialof Mean Force in Strongly Confined Colloids Alternate Current Nonequilibrium Molecular Dynamics Simulations ofYttria-Stabilized Zirconia Equation of State, Thermal Expansion Coefficient, and Isothermal Compressibility for IcesIh, II, III, V, and VI, as Obtained from Computer Simulation Virial Coefficients of Polarizable Water: Applications to Thermodynamic Properties andMolecular Clustering Proton Chemical Exchange in Aqueous Solutions of Dodecylammonium Chloride: Effects ofMicellar Aggregation Molecular Dynamics Simulation of Prewetting Fluids Confined in Porous Media: A Soft-Sponge Model Microstructural Characterization of Adsorption and Depletion Regimes of SupercriticalFluids in Nanopores Phase Equilibria, Excess Properties, and Henry's Constants of the Water + Carbon DioxideBinary Mixture Water in Nanopores: III. Surface Phase Transitions of Water on Hydrophilic Surfaces Divalent Cation Adsorption on the Actin Monomer Replica Exchange for Reactive Monte Carlo Simulations Selective Adsorption of Ions with Different Diameter and Valence atHighly Charged Interfaces Molecular Dynamics Simulation Study of Self-Assembled Monolayers of AlkanethiolSurfactants on Spherical Gold Nanoparticles Biography of Keith E. Gubbins Third Virial Coefficients of Argon from First Principles Pressure Dependence of the Hildebrand Solubility Parameter and the Internal Pressure: Monte Carlo Simulations for External Pressures up to 300 MPa Statistical Associating Fluid Theory of Homopolymers and Block Copolymers inCompressible Solutions: Polystyrene, Polybutadiene, Polyisoprene,Polystyrene-block-Polybutadiene, and Polystyrene-block-Polyisoprene in Propane Pore-Size Dependence of Quasi-One-Dimensional Single-File Diffusion Mobility Discrete Perturbation Theory for the Jagla Ramp Potential Making Equation of State Models Predictive−Part 3: Improved Treatment of MultipolarInteractions in a PC-SAFT Based Equation of State Integral Equation Study of Particle Confinement Effects in a Polymer/Particle Mixture Anisotropic United Atom Model Including the Electrostatic Interactions of Methylbenzenes.II. Transport Properties Thermodynamic Perturbation Theory and Phase Diagram in Simple Fluids Classical Molecular Dynamics of Clathrate−Methane−Water−Kinetic InhibitorComposite Systems Modeling of Polar Systems Using PCP-SAFT: An Approach to Account forInduced-Association Interactions Molecular Dynamics Simulations of Xe Chemical Shifts and Solubility in n-Alkanes Photoinduced Electron Transfer in Dye-Sensitized Solar Cells: ModifiedSakata−Hashimoto−Hiramoto Model (MSHH) tPC-PSAFT Modeling of Gas Solubility in Imidazolium-Based Ionic Liquids Simple Extension of a Field Theory Approach for the Description of the Double LayerAccounting for Excluded Volume Effects Computer Simulation of Thermally Sensitive Telechelic Star Polymers The Role of Glycocalyx in Nanocarrier-Cell Adhesion Investigated Using a ThermodynamicModel and Monte Carlo Simulations Experimental and Atomistic Simulation Study of the Structural and Adsorption Propertiesof Faujasite Zeolite−Templated Nanostructured Carbon Materials Graduate and Postdoctoral Research Associates, Visiting Scientists, and SeniorCollaborators of Keith E. Gubbins Mechanism of Ammonia Retention on Graphite Oxides: Role of Surface Chemistry andStructure Anisotropic United Atom Model Including the Electrostatic Interactions of Methylbenzenes.I. Thermodynamic and Structural Properties Wall-Induced Prefreezing in Hard Spheres: A Thermodynamic Perspective Observation of Surface Nematization at the Solid−Liquid Crystal Interface via MolecularSimulation Predictions of Transport Properties in Gaseous Mixtures ofSulfur Hexafluoride and Nitrogen Effect of Solutes on the Structure and Energetics of a Model Solvent Monte Carlo Simulation of Porous Electrodes in the Constant Voltage Ensemble Anisotropic Self-Diffusion in Nanofluidic Structures Structure of Hard Spheres near a Hard Wall and in a Pore from the Residual ChemicalPotential Exploring the Energetic Deposition of Pentacene on Pentacene through MolecularDynamics Simulations Phase Behavior of Model Surfactants in the Presence of Hybrid Particles

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