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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcbfk/2006/volume_110
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcbfk/2006/volume_110/issue_16/m/print http://hub.abes.fr/acs/periodical/jpcbfk/2006/volume_110/issue_16/m/web
Date Copyrighted	2006
Rights	Copyright © 2006 American Chemical Society
issue	16
Rights Holder	American Chemical Society
is Is Part Of of	First-Principles Calculations of Migration Energy of Lithium Ions in Halides andChalcogenides Theoretical Investigation of the Structure and Coverage of the Si(111)−OCH3 Surface Molecular Dynamics Simulation Study of Water Adsorption on Hydroxylated GraphiteSurfaces X- (X = O, S) Ions in Alkali Halide Lattices through Density Functional Calculations. 1.Substitutional Defect Models Dielectric Study of the Slow Motional Processes in the Polymorphic States of AnhydrousCaffeine Conformational Analysis of Sulfate Species on Ag/Al2O3 by Means of Theoretical andExperimental Vibration Spectra Effects of Thermal Treatments on the Recovery of Adsorbed Water and PhotocatalyticActivities of TiO2 Photocatalytic Systems Effect of Ionic Solutes on the Hydrogen Bond Network Dynamics of Water: Power SpectralAnalysis of Aqueous NaCl Solutions Initial Surface Reactions of TiO2 Atomic Layer Deposition onto SiO2 Surfaces: DensityFunctional Theory Calculations Ab Initio Molecular Dynamics Simulation of NO Reactivity on the CaO(001) Surface 2H NMR Evidence for the Formation of Random Mesh Phases in NonionicSurfactant−Water Systems Ab Initio Theoretical Study of Temperature and Density Dependence of Molecular andThermodynamic Properties of Water in the Entire Fluid Region: Autoionization Processes Kinetic Pathways of Phase Ordering in Lipid Raft Model Systems Investigations of the Adsorption of n-Pentane in Several Representative Zeolites Low-Temperature Anomalies of Two-Photon Absorption in In2O3 NanocrystalsIncorporated into PMMA Matrixes Comparison of Atomic-Level and Coarse-Grained Models for Liquid Hydrocarbons fromMolecular Dynamics Configurational Entropy Estimates Sampling of Rare Events Using Hidden Restraints Coverage-Dependent Kinetics and Thermodynamics of Carbon Monoxide Adsorption on aTernary Copper Catalyst Derived from Static Adsorption Microcalorimetry Synthesis and Characterizations of Amorphous Carbon Nanotubes by Pyrolysis ofFerrocene Confined within AAM Templates Enthalpy−Entropy Contributions to the Potential of Mean Force of NanoscopicHydrophobic Solutes Molecular Depth Profiling with Cluster Ion Beams Coupled Membrane Fluctuations and Protein Mobility in Supported IntermembraneJunctions Modeling of Supramolecular Ordering and Physicochemical Properties inCyclohexane−Ethanol Mixtures Formation of a Three-Dimensional Microstructure of Fe3O4−Poly(vinyl alcohol) Compositeby Evaporating the Hydrosol under a Magnetic Field Molecular Conformations of Protonated Dipropylamine in AlPO4-11, AlPO4-31, SAPO-34,and AlPO4-41 Molecular Sieves Surface Plasmon−Quantum Dot Coupling from Arrays of Nanoholes Radical Ions of α,α‘-Bis(diphenylamino)-capped Oligothiophenes: A CombinedSpectroelectrochemical and Theoretical Study Thermodynamic Calculations in the System CH4-H2O and Methane Hydrate PhaseEquilibria Generalized Two-Dimensional Heterocorrelation Analysis of Spectrally Resolved andTemporally Resolved Fluorescence of the 8-Anilino-1-naphthalenesulfonate−ApomyoglobinComplex with pH Perturbation X- (X = O, S, Se) Ions in Alkali Halide Lattices through Density Functional Calculations.2. Interstitial Defect Models Microwave-Assisted Synthesis of Calcium Carbonate (Vaterite) of Various Morphologies inWater−Ethylene Glycol Mixed Solvents Derivation of Force Field Parameters for SnO2−H2O Surface Systems from Plane-WaveDensity Functional Theory Calculations Rapid Growth and Flow-Mediated Nucleation of Millimeter-Scale Aligned CarbonNanotube Structures from a Thin-Film Catalyst Quantum Chemical Study of Mechanisms for Oxidative Dehydrogenation of Propane onVanadium Oxide Aluminum Chloride as a Solid Is Not a Strong Lewis Acid Metastable γ-MnS Hierarchical Architectures: Synthesis, Characterization, and GrowthMechanism Observation of pH-Dependent Back-Electron-Transfer Dynamics in Alizarin/TiO2Adsorbates: Importance of Trap States Conformational Equilibrium of Bis(trifluoromethanesulfonyl) Imide Anion of aRoom-Temperature Ionic Liquid: Raman Spectroscopic Study and DFT Calculations Triangle of Liquid−Gas States Three-Dimensional Description of the Spontaneous Onset of Homochirality on the Surfaceof a Conglomerate Crystal Phase Stable Gas-Phase Radical Cations of Dimeric Tryptophan and Tyrosine Derivatives Electrical Bistability and Memory Phenomenon in Carbon Nanotube-Conjugated PolymerMatrixes Evidence of the Interaction of Evaporated Pt Nanoparticles with Variously TreatedSurfaces of Highly Oriented Pyrolytic Graphite From Fractal to Nanorod Porphyrin J-Aggregates. Concentration-Induced Tuning of theAggregate Size Hydrogen Storage Properties of Metal Nitroprussides M[Fe(CN)5NO], (M = Co, Ni) Triplet-State and Singlet Oxygen Formation in Fluorene-Based Alternating Copolymers Gibbs Energies of Transfer of Alkali Metal Cations between Mutually SaturatedWater−Solvent Systems Determined from Extraction Experiments with Radiotracer 137Cs On the Nonequilibrium Thermodynamics of Large Departures from Butler−VolmerBehavior Comparative Studies on Interactions of Bovine Serum Albumin with Cationic Gemini andSingle-Chain Surfactants Effects of Zwitterionic Vesicles on the Reactivity of Benzoyl Chlorides Silica Nanocoils

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