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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcbfk/2004/volume_108
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcbfk/2004/volume_108/issue_21/m/print http://hub.abes.fr/acs/periodical/jpcbfk/2004/volume_108/issue_21/m/web
Date Copyrighted	2004
Rights	Copyright © 2004 American Chemical Society
issue	21
Rights Holder	American Chemical Society
is Is Part Of of	Equilibrium Time Correlation Functions from Irreversible Transformations inTrajectory Space Numerical Investigation of the Entropy Crisis in Model Glass Formers Modified Statistical Treatment of Kinetic Energy in the Thomas−Fermi Model The Relaxation Dynamics of a Supercooled Liquid Confined by Rough Walls Free Energy of Oxidation of Metal Aqua Ions by an Enforced Change of Coordination Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 2. ExampleApplications to Alanine Dipeptide and a β-Hairpin Peptide Phase Transitions of Confined Lattice Homopolymers Phase Space Features and Statistical Aspects of Forward−Backward SemiclassicalDynamics The Energy Landscape of a Fluorite-Structured Superionic Conductor Autobiographical Sketch of Hans C. Andersen Vitae of Hans C. Andersen On the Equivalence of Atomic and Molecular Pressure Publications of Hans C. Andersen Liquid-State Theory of Structure, Thermodynamics, and Phase Separation in Suspensionsof Rod Polymers and Hard Spheres Tribute to Hans C. Andersen Research Group andAlumni of Hans C.Andersen Model Study of Coherent-Control of the Femtosecond Primary Event of Vision Geometrical Picture of Dynamical Facilitation Optimal Allocation of Replicas to Processors in Parallel Tempering Simulations First-Shell Solvation of Ion Pairs: Correction of Systematic Errors in Implicit SolventModels Inherent-Structure View of Self-Diffusion in Liquids Combining the Semiclassical Initial Value Representation with Centroid Dynamics Instantaneous Normal Modes and Cooperative Dynamics in a Quasi-Two-DimensionalSystem of Particles Free Energy and Structure of Dislocation Cores in Two-Dimensional Crystals Self-Consistent Field Theory of Polyelectrolyte Systems Dynamical Arrest in Superionic Crystals and Supercooled Liquids Nonergodicity for a van der Waals Glass Model Electronic Decoherence Induced by Intramolecular Vibrational Motions in a Betaine DyeMolecule A Multigrid Algorithm for Sampling Imaginary-Time Paths in Quantum Monte CarloSimulations A Case Study in the Molecular Interpretation of Optical Kerr Effect Spectra: Instantaneous-Normal-Mode Analysis of the OKE Spectrum of Liquid Benzene Molecular Dynamics of Excited State Intramolecular Proton Transfer: 2-(2‘-Hydroxyphenyl)-4-methyloxazole in Gas Phase, Solution, and Protein Environments Spontaneous Relaxation in Generalized Oscillator Models with Glassy Dynamics Fluid Critical Points from Simulations: The Bruce−Wilding Method and Yang−YangAnomalies Asymmetry in the Shapes of Folded and Denatured States of Proteins Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory East Model: Basis Set Expansion, Mode Coupling, and Irreducible Memory Kernels Vibrational Echoes: Dephasing, Rephasing, and the Stability of Classical Trajectories Brownian Motion of a Rough Sphere and the Stokes−Einstein Law Micelle Formation and the Hydrophobic Effect Importance of Excluded Volume on the Solvation of Urea in Water Hydrogen Bonding Structure and Dynamics of Water at the DimyristoylphosphatidylcholineLipid Bilayer Surface from a Molecular Dynamics Simulation Measuring the Force Ejecting DNA from Phage Understanding the Limitations of the Virial in the Simulation of Nanosystems:A Puzzle That Stimulated the Search for Understanding Organization of Coordination Polyhedra in an Amorphous Binary Alloy Reformulation of Weeks−Chandler−Andersen Perturbation Theory Directly in Terms of aHard-Sphere Reference System Hydrogen Bond Networks: Structure and Evolution after Hydrogen Bond Breaking An Integral Equation Approach to Effective Interactions between Polymers in Solution On the Calculation of Diffusion Coefficients in Confined Fluids and Interfaces with anApplication to the Liquid−Vapor Interface of Water Forces between Two Colloidal Particles in a Nematic Solvent Dynamic Heterogeneities in Supercooled Water

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