Table of Contents

December 23, 2004
Volume 108, Issue 51
Pages 19569-19893

About the Cover: Schematic diagram of an energy landscape, a fundamental tool for understanding condensed phases. Reprinted with permission from Science 267, 1935-1939 (1995), Copyright 1995, AAAS.

For Selected Content:

Frank H. Stillinger Festschrift
Guest Editors: Pablo G. Debenedetti and Salvatore Torquato

Frank H. Stillinger, Theoretical Chemist:  A Tribute

pp 19569–19570
Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jp040532s

Autobiography of Frank H. Stillinger

pp 19571–19573
Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jp0405310

Co-authors and Postdoctoral Collaborators of Frank H. Stillinger

p 19574
Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jp0405308

Frank H. Stillinger Bibliography

pp 19575–19581
Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jp0405299

ARTICLES

Theoretical Study of Hydrogen Bonded Complexes of Ammonia and Hydrogen Cyanide

Patricia L. Moore Plummer
pp 19582–19588
Publication Date (Web): September 14, 2004 (Article)
DOI: 10.1021/jp048018+

Pair Correlation Function Realizability:  Lattice Model Implications

Frank H. Stillinger and Salvatore Torquato
pp 19589–19594
Publication Date (Web): August 25, 2004 (Article)
DOI: 10.1021/jp0478155

Metastability and Instability in the Lennard-Jones Fluid Investigated by Transition-Matrix Monte Carlo,

Vincent K. ShenJeffrey R. Errington
pp 19595–19606
Publication Date (Web): September 11, 2004 (Article)
DOI: 10.1021/jp040218y

Multiple Time-Scale Behavior of the Hydrogen-Bond Network in Water

Anirban Mudi and Charusita Chakravarty
pp 19607–19613
Publication Date (Web): October 1, 2004 (Article)
DOI: 10.1021/jp047974o

On the Construction of Particle Distributions with Specified Single and Pair Densities

O. Costin and J. L. Lebowitz
pp 19614–19618
Publication Date (Web): October 7, 2004 (Article)
DOI: 10.1021/jp047793m

Inherent Structure Analysis of the Thermal History Dependence of Yielding in Glasses

Mark J. Osborne and Daniel J. Lacks
pp 19619–19622
Publication Date (Web): August 7, 2004 (Article)
DOI: 10.1021/jp047715z

Dynamical Heterogeneity and Jamming in Glass-Forming Liquids

Naida Laević and Sharon C. Glotzer
pp 19623–19633
Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jp040401r

Structure of Ice-VII and Ice-VIII:  A Quantum Mechanical Study

Jer-Lai Kuo and Michael L. Klein
pp 19634–19639
Publication Date (Web): September 10, 2004 (Article)
DOI: 10.1021/jp0482363

Some Properties of “Madrid” Liquids

Dongxu Li and Stuart A. Rice
pp 19640–19646
Publication Date (Web): November 16, 2004 (Article)
DOI: 10.1021/jp040367g

Dissociation of Hydrogen Chloride and Proton Transfer in Liquid Glycerol:  An Ab Initio Molecular Dynamics Study

Wei Zhuang and Christoph Dellago
pp 19647–19656
Publication Date (Web): October 30, 2004 (Article)
DOI: 10.1021/jp047676r

Self-Organized Network of Chemical Reactions:  A Model of Contaminated Converging and Diverging Flows in Fractured Media

Randall A. LaVioletteRobert J. GlassDavid PeakDaphne L. Stoner
pp 19657–19662
Publication Date (Web): November 9, 2004 (Article)
DOI: 10.1021/jp0476500

On Static and Dynamic Heterogeneities in Water

Emilia La Nave and Francesco Sciortino
pp 19663–19669
Publication Date (Web): November 3, 2004 (Article)
DOI: 10.1021/jp047374p

Mechanism of the Hydrogen/Platinum(111) Fuel Cell

L. BlumN. MarzariR. Car
pp 19670–19680
Publication Date (Web): November 12, 2004 (Article)
DOI: 10.1021/jp047188j

Dynamics of Nucleation in the Ising Model

Albert C. Pan and David Chandler
pp 19681–19686
Publication Date (Web): September 28, 2004 (Article)
DOI: 10.1021/jp0471249

Solvation Dynamics at the Water/Zirconia Interface:  Molecular Dynamics Simulations

Lucimara R. Martins and Munir S. SkafBranka M. Ladanyi
pp 19687–19697
Publication Date (Web): September 25, 2004 (Article)
DOI: 10.1021/jp0470896

Numerical Test of Stillinger's Argument Concerning the Kauzmann Paradox

Srikanth Sastry
pp 19698–19702
Publication Date (Web): November 11, 2004 (Article)
DOI: 10.1021/jp046978q

Relationship between Mechanical and Dynamical Properties of Glass Forming Liquids

S. S. Ashwin, Y. Brumer, David R. Reichman, and Srikanth Sastry
pp 19703–19710
Publication Date (Web): November 12, 2004 (Article)
DOI: 10.1021/jp047137m

Alterations in Water Structure Induced by Guanidinium and Sodium Ions

Raymond D. MountainD. Thirumalai
pp 19711–19716
Publication Date (Web): November 06, 2004 (Article)
DOI: 10.1021/jp046607+

Chemically Functionalized Single-Walled Carbon Nanotubes as Ammonia Sensors

E. Bekyarova, M. Davis, T. Burch, M. E. Itkis, B. Zhao, S. Sunshine, and R. C. Haddon
pp 19717–19720
Publication Date (Web): October 9, 2004 (Article)
DOI: 10.1021/jp0471857

Computer Simulation of the Surface Free Energy of the Si(100) Surface and the Line Free Energies Associated with Steps on This Surface

Sweta Somasi and Bamin KhomamiRonald Lovett
pp 19721–19728
Publication Date (Web): November 4, 2004 (Article)
DOI: 10.1021/jp047713e

Activated Hopping, Barrier Fluctuations, and Heterogeneity in Glassy Suspensions and Liquids

Kenneth S. Schweizer and Erica J. Saltzman
pp 19729–19741
Publication Date (Web): October 15, 2004 (Article)
DOI: 10.1021/jp047763j

Transient Nucleation: Computer Simulation vs Theoretical Inference

Lawrence S. Bartell and Giles W. Turner
pp 19742–19747
Publication Date (Web): October 29, 2004 (Article)
DOI: 10.1021/jp0403902

Flat-Histogram Dynamics and Optimization in Density of States Simulations of Fluids

M. Scott Shell, Pablo G. Debenedetti, and Athanassios Z. Panagiotopoulos
pp 19748–19755
Publication Date (Web): September 10, 2004 (Article)
DOI: 10.1021/jp047677j

Scaled Particle Theory Revisited:  New Conditions and Improved Predictions of the Properties of the Hard Sphere Fluid

Michael Heying and David S. Corti
pp 19756–19768
Publication Date (Web): October 21, 2004 (Article)
DOI: 10.1021/jp040398b

Using Energy Landscapes To Predict the Properties of Thin Films

Jeetain Mittal and Pooja ShahThomas M. Truskett
pp 19769–19779
Publication Date (Web): October 1, 2004 (Article)
DOI: 10.1021/jp040402j

Scaling of the Nucleation Rate and a Monte Carlo Discrete Sum Approach to Water Cluster Free Energies of Formation

B. N. Hale and D. J. DiMattio
pp 19780–19785
Publication Date (Web): November 12, 2004 (Article)
DOI: 10.1021/jp0476343

Thermodynamics and Dynamics for a Model Potential Energy Landscape

J. Chowdhary and T. Keyes
pp 19786–19798
Publication Date (Web): October 26, 2004 (Article)
DOI: 10.1021/jp047615t

Quantum Diffusion in Liquid Para-hydrogen:  An Application of the Feynman−Kleinert Linearized Path Integral Approximation

Jens Aage Poulsen and Gunnar NymanPeter J. Rossky
pp 19799–19808
Publication Date (Web): November 16, 2004 (Article)
DOI: 10.1021/jp040425y

Ornstein−Zernike Random-Walk Approach for Polymers

Johan Skule HøyeGeorge StellChi-Lun Lee
pp 19809–19817
Publication Date (Web): November 3, 2004 (Article)
DOI: 10.1021/jp0404302

Magnetically Assembled Multiwalled Carbon Nanotubes on Ferromagnetic Contacts

Sandip Niyogi, Carlos Hangarter, Ramesh M. Thamankar, Yueh-Feng Chiang, Roland Kawakami, Nosang V. Myung, and Robert C. Haddon
pp 19818–19824
Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jp047156w

Dielectric Relaxation in Aqueous Solutions of Hydrazine and Hydrogen Peroxide:  Water Structure Implications

Ayumi Minoguchi, Ranko Richert, and C. Austen Angell
pp 19825–19830
Publication Date (Web): November 11, 2004 (Article)
DOI: 10.1021/jp0471608

Extended Modified Liquid Drop−Dynamical Nucleation Theory (EMLD−DNT) Approach to Nucleation:  A New Theory

David Reguera and Howard Reiss
pp 19831–19842
Publication Date (Web): November 20, 2004 (Article)
DOI: 10.1021/jp047168h

Improved Quasi-Chemical Equation of State Based on Energy and Density Fluctuations in the Small System Grand Canonical Ensemble

Christopher J. Roberts
pp 19843–19851
Publication Date (Web): October 5, 2004 (Article)
DOI: 10.1021/jp047123g

Control of Chemical Equilibrium by Noise

Vassiliy Lubchenko and Robert J. Silbey
pp 19852–19858
Publication Date (Web): November 6, 2004 (Article)
DOI: 10.1021/jp047101u

Activation Barrier Scaling for the Spontaneous Evaporation of Confined Water

Alenka Luzar
pp 19859–19866
Publication Date (Web): October 22, 2004 (Article)
DOI: 10.1021/jp0470703

Inherent Structures in the NaCl−CsCl System at the Boundary between Crystallization and Glass Formation

James W. Palko and John Kieffer
pp 19867–19873
Publication Date (Web): November 23, 2004 (Article)
DOI: 10.1021/jp046930c

Connecting Systems with Short and Long Ranged Interactions:  Local Molecular Field Theory for Ionic Fluids

Yng-gwei Chen, Charanbir Kaur, and John D. Weeks
pp 19874–19884
Publication Date (Web): October 30, 2004 (Article)
DOI: 10.1021/jp0469261

Evidence for Anomalous Hydration Dynamics near a Model Hydrophobic Peptide

Daniela Russo, Rajesh K. Murarka, Greg Hura, Elizabeth Verschell, John R. D. Copley, and Teresa Head-Gordon
pp 19885–19893
Publication Date (Web): November 10, 2004 (Article)
DOI: 10.1021/jp046847p
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