Table of Contents

November 4, 1999
Volume 103, Issue 44
Pages 2-9804
For Selected Content:

Call for Applicants IBM Graduate Student Awards in Computational Chemistry

p 2
Publication Date (Web): November 04, 1999 (Editorial)
DOI: 10.1021/jp995482j
Sponsored Access Sponsored Access

LETTERS

Use of Photoreactive Sol−Gel Interfaces To Form Robust Low-Surface-Energy Fluoropolymer−Silica Nanocomposite Coatings

Elizabeth I. Mayo, Eric J. Lochner, and A. E. Stiegman
pp 9383–9386
Publication Date (Web): October 06, 1999 (Letter)
DOI: 10.1021/jp991680z

Structural Properties, Electron Localization and Magnetic Behavior of Copper Hydroxonitrate:  A Density Functional Study

C. Massobrio, P. Rabu, and M. DrillonC. Rovira
pp 9387–9391
Publication Date (Web): November 04, 1999 (Letter)
DOI: 10.1021/jp992226y

Importance of Polarization in Simulations of Condensed Phase Energetic Materials

Michael A. Johnson and Thanh N. Truong
pp 9392–9393
Publication Date (Web): October 21, 1999 (Letter)
DOI: 10.1021/jp992514u

Controlled Etching of Au:SR Cluster Compounds

T. Gregory Schaaff and Robert L. Whetten
pp 9394–9396
Publication Date (Web): October 21, 1999 (Letter)
DOI: 10.1021/jp993229d

FEATURE ARTICLE

Quantum Dynamics of H2−Surface Scattering:  H2 + LiF(001) and H2 + Cu(100)

G. J. Kroes
pp 9397–9414
Publication Date (Web): October 12, 1999 (Feature Article)
DOI: 10.1021/jp991489p

ARTICLES
PHYSICAL CHEMISTRY OF MATERIALS: FROM NANOPARTICLES TO MACROMOLECULES

Molecular Modeling of Interactions in Zeolites:  An Ab Initio Embedded Cluster Study of NH3 Adsorption in Chabazite

James M. Vollmer, Eugene V. Stefanovich, and Thanh N. Truong
pp 9415–9422
Publication Date (Web): October 21, 1999 (Article)
DOI: 10.1021/jp990571h

Effects of Disorder in Polymer Morphology on Spin Diffusion

T. T. P. Cheung
pp 9423–9431
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp9906684

Temperature-Dependent Properties of Water-in-Oil Microemulsions with Amphiphilic Triblock-Copolymer. Part I:  Dynamics, Particle Interactions, and Network Formation

Holger Mays and Mats Almgren
pp 9432–9441
Publication Date (Web): October 06, 1999 (Article)
DOI: 10.1021/jp991047d

Electron Spin Resonance of Ni(I) in Ni−Containing MCM-41 Molecular Sieves

Zhixiang Chang, Zhidong Zhu, and Larry Kevan
pp 9442–9449
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp991035s

Laser Ablation Mass Spectrometry of Pyrolyzed Koppers Coal-Tar Pitch:  A Precursor for Fullerenes and Metallofullerenes

Rui Zhang, Yohji Achiba, Keith J. Fisher, Gerard E. Gadd, Femia G. Hopwood, Toshinobu Ishigaki, Derek R. Smith, Shinzo Suzuki, and Gary D. Willett
pp 9450–9458
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp9910791

In Situ Laser Raman Spectroscopy Studies of VPO Catalyst Transformations

Zhi-Yang Xue and Glenn L. Schrader
pp 9459–9467
Publication Date (Web): October 12, 1999 (Article)
DOI: 10.1021/jp9912713

High Proton Conductivity in Porous P2O5−SiO2 Glasses

Masayuki Nogami, Ritsuko Nagao, Cong Wong, Toshihiro Kasuga, and Tomokatsu Hayakawa
pp 9468–9472
Publication Date (Web): October 21, 1999 (Article)
DOI: 10.1021/jp991277s

Morphological Phase Diagram for a Ternary System of Block Copolymer PS310-b-PAA52/Dioxane/H2O

Hongwei Shen and Adi Eisenberg
pp 9473–9487
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp991365c

Kinetics and Mechanism of the Rod-to-Vesicle Transition of Block Copolymer Aggregates in Dilute Solution

Lei Chen, Hongwei Shen, and Adi Eisenberg
pp 9488–9497
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp9913665

Nitrogenation and Hydrogenation Characteristics of Transition Metal−Iron Intermetallic Compounds

Masahiro Itoh, Ken-ichi Machida, Kazuhiro Hirose, Takao Sakata, Hirotaro Mori, and Gin-ya Adachi
pp 9498–9504
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp9916182

The Influence of Monomer Structures on the Liquid Crystalline Order of Aramide Polymers:  An NMR Analysis

Dan McElheny, Veronica Frydman, Min Zhou, and Lucio Frydman
pp 9505–9511
Publication Date (Web): October 04, 1999 (Article)
DOI: 10.1021/jp991784+

Reinvestigation of the Crystal Structure of Dehydrated Sodium Zeolite X

Lin Zhu and Karl Seff
pp 9512–9518
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp991817l

Laser Flash Photolysis Study on Photophysical and Photochemical Properties of C82

Mamoru Fujitsuka, Akira Watanabe, and Osamu ItoKazunori Yamamoto and Hideyuki FunasakaTakeshi Akasaka
pp 9519–9523
Publication Date (Web): October 04, 1999 (Article)
DOI: 10.1021/jp991983t

Surface Modification of Silicon Nanocrystallites by Alcohols

Beata Sweryda-Krawiec, Thierry Cassagneau, and Janos H. Fendler
pp 9524–9529
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp992298p

Effect of Polymer−Metal Complexation on the Phase Transition of Thermoreversible Copolymer Gels

Shyni Varghese, Ashish K. Lele, D. Srinivas, and Raghunath A. Mashelkar
pp 9530–9532
Publication Date (Web): September 29, 1999 (Article)
DOI: 10.1021/jp992510p

Formation of Colloidal Silver Nanoparticles:  Capping Action of Citrate

Arnim HengleinMichael Giersig
pp 9533–9539
Publication Date (Web): October 12, 1999 (Article)
DOI: 10.1021/jp9925334

PHYSICAL CHEMISTRY OF SURFACES AND INTERFACES

Relaxation Processes of Molecules on a Solution Surface Studied by the Two-Color Pump−Probe Ionization Technique

Noriko Horimoto, Fumitaka Mafuné, and Tamotsu Kondow
pp 9540–9544
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp984384f

Mössbauer Characterization of Carbon Supported Ruthenium−Tin Catalysts

Lorenzo Stievano, Sandro Calogero, Friedrich E. Wagner, Signorino Galvagno, and Candida Milone
pp 9545–9556
Publication Date (Web): October 12, 1999 (Article)
DOI: 10.1021/jp990420e

Adsorption of Protein Layers at the Water/Air Interface As Studied by Axisymmetric Drop and Bubble Shape Analysis

A. V. Makievski, G. Loglio, J. Krägel, R. Miller, V. B. Fainerman, and A. W. Neumann
pp 9557–9561
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp990775y

Surface Polyfluorinated Micelles

Yoji Kameo, Seriya Takahashi, Marianne Krieg-Kowald, Tadatoshi Ohmachi, Shinsuke Takagi, and Haruo Inoue
pp 9562–9568
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp990888h

Raman Resonance Effect in a Monolayer of Polypyridyl Ruthenium(II) Complex Adsorbed on Nanocrystalline TiO2 via Phosphonated Terpyridyl Ligands

Anne Hugot-Le Goff, Suzanne Joiret, and Polycarpos Falaras
pp 9569–9575
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp990975+

Study of Water Droplets and Films on Graphite by Noncontact Scanning Force Microscopy

M. Luna, J. Colchero, and A. M. Baró
pp 9576–9581
Publication Date (Web): October 21, 1999 (Article)
DOI: 10.1021/jp991256y

Computer Simulations of Phosphatidylcholine Monolayers at Air/Water and CCl4/Water Interfaces

H. Dominguez, A. M. Smondyrev, and M. L. Berkowitz
pp 9582–9588
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp991352z

New Force Field for Na Cations in Faujasite-Type Zeolites

Eugenio Jaramillo and Scott M. Auerbach
pp 9589–9594
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp991387z

Mechanical and Thermal Spreading of Antimony Oxides on the TiO2 Surface:  Dispersion and Properties of Surface Antimony Oxide Species

Bernhard Pillep and Peter BehrensUwe-Anton Schubert, Jörg Spengler, and Helmut Knözinger
pp 9595–9603
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp991441b

Ab Initio Calculation of Adsorption to β-SiC Clusters

J. Olander and K. Larsson
pp 9604–9609
Publication Date (Web): October 12, 1999 (Article)
DOI: 10.1021/jp991444o

Temperature Dependence and Annealing Effects in Surface-Enhanced Raman Scattering on Chemically Prepared Silver Island Films

Chan Ho Kwon, Doo Wan Boo, Hyun Jin Hwang, and Myung Soo Kim
pp 9610–9615
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp991479o

Surface Electrochemistry of CO and H2/CO Mixtures at Pt(100) Interface:  Electrode Kinetics and Interfacial Structures

N. M. Marković, C. A. Lucas, B. N. Grgur, and P. N. Ross
pp 9616–9623
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp991566g

Elucidation of the Structures of Nitric Oxide and Nitrous Acid at Pt(111) Electrodes by in Situ Scanning Tunneling Microscopy in 0.1 M HClO4

Ze-Haw Zang, Zi-Lin Wu, and Shueh-Lin Yau
pp 9624–9630
Publication Date (Web): October 12, 1999 (Article)
DOI: 10.1021/jp991639w

Shape Changes of C16TABr Micelles on Benzene Solubilization

Niklas Hedin, Ruslan Sitnikov, István Furó, Ulf Henriksson, and Oren Regev
pp 9631–9639
Publication Date (Web): October 16, 1999 (Article)
DOI: 10.1021/jp991686o

Fast Diffusion of Br- Ions on a Micellar Surface

N. Hedin and I. Furó
pp 9640–9644
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp991687g

Electrochemical Impedance Study of Membrane−Electrode Assemblies in PEM Fuel Cells. II. Electrooxidation of H2 And H2/Co Mixtures on Pt/Ru-Based Gas-Diffusion Electrodes

Mariana Ciureanu, Hong Wang, and Zhigang Qi
pp 9645–9657
Publication Date (Web): October 12, 1999 (Article)
DOI: 10.1021/jp9918407

Characteristics of AOT Microemulsion Structure Depending on Apolar Solvents

Mitsuhiro Hirai, Rika Kawai-Hirai, Miwa Sanada, Hiroki Iwase, and Shingo Mitsuya
pp 9658–9662
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp991899d

The Thermal Chemistry of 1-Chloro-3-Iodopropane (ClC3H6I) Adsorbed on Pt(111)

T. B. Scoggins and J. M. White
pp 9663–9672
Publication Date (Web): October 08, 1999 (Article)
DOI: 10.1021/jp991923n

Polymer-Protected Ni/Pd Bimetallic Nano-Clusters:  Preparation, Characterization and Catalysis for Hydrogenation of Nitrobenzene

Ping Lu, Toshiharu Teranishi, Kiyotaka Asakura, Mikio Miyake, and Naoki Toshima
pp 9673–9682
Publication Date (Web): October 16, 1999 (Article)
DOI: 10.1021/jp992177p

Vibrational Excitation Mechanisms in Electron Energy Loss Spectroscopy Studies of Hydrogen Adsorbed on Si(100) and Ge(100)

J. Eggeling, G. R. Bell, and T. S. Jones
pp 9683–9689
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp992217p

Effects of Molecular Geometry on the STM Image Contrast of Methyl- and Bromo-Substituted Alkanes and Alkanols on Graphite

Christopher L. Claypool, Francesco Faglioni, Adam J. Matzger, William A. Goddard III, and Nathan S. Lewis
pp 9690–9699
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp992257t

Formic Acid Decomposition on Polycrystalline Platinum and Palladized Platinum Electrodes

Guo-Qiang Lu, Alechia Crown, and Andrzej Wieckowski
pp 9700–9711
Publication Date (Web): October 15, 1999 (Article)
DOI: 10.1021/jp992297x

Voltammetric and Impedance Analysis of Dimethyldioctadecylammonium/Prussian Blue Langmuir−Blodgett Films on ITO Electrodes

Raphaël Saliba, Béatrice Agricole, Christophe Mingotaud, and Serge Ravaine
pp 9712–9716
Publication Date (Web): October 16, 1999 (Article)
DOI: 10.1021/jp9922965

Photochemistry of CH3I Adsorbed on Al2O3(0001)

S. Y. Nishimura, D. N. Aldrich, M. T. Hoerth, C. J. Ralston, and N. J. Tro
pp 9717–9720
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp9922864

Orbital-Mediated Tunneling, Inelastic Electron Tunneling, and Electrochemical Potentials for Metal Phthalocyanine Thin Films

Ursula Mazur and K. W. Hipps
pp 9721–9727
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp9923419

STATISTICAL MECHANICS AND THERMODYNAMICS OF CONDENSED MATTER

Liquid−Liquid Phase Transition in Confined Water:  A Monte Carlo Study

Martin Meyer and H. Eugene Stanley
pp 9728–9730
Publication Date (Web): July 20, 1999 (Article)
DOI: 10.1021/jp984142f

Molecular Mobility in Cyclic Hydrocarbons:  A Simulation Study

Heiko Schmitz, Roland Faller, and Florian Müller-Plathe
pp 9731–9737
Publication Date (Web): October 12, 1999 (Article)
DOI: 10.1021/jp990761s

Molecular Dynamics Simulations of Liquid Nitromethane

Howard E. Alper, Fakhr Abu-Awwad, and Peter Politzer
pp 9738–9742
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp9921102

BIOPHYSICAL CHEMISTRY

Double-Layer Properties of an Ion-Penetrable Charged Membrane:  Effect of Sizes of Charged Species

Yung-Chih Kuo and Jyh-Ping Hsu
pp 9743–9748
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp9903965

Sequential Collapse Model for Protein Folding Pathways

Fernando Bergasa-Caceres, T. Andrew Ronneberg, and Herschel A. Rabitz
pp 9749–9758
Publication Date (Web): October 16, 1999 (Article)
DOI: 10.1021/jp990090y

Excited States of the 5-Chlorophyll Photosystem II Reaction Center

R. Jankowiak, M. Rätsep, R. Picorel, M. Seibert, and G. J. Small
pp 9759–9769
Publication Date (Web): October 21, 1999 (Article)
DOI: 10.1021/jp9906738

Spectral Hole Burning and Fluorescence Line Narrowing in Subunits of the Light-Harvesting Complex LH1 of Purple Bacteria

T. M. H. Creemers, C. A. De Caro, R. W. Visschers, R. van Grondelle, and S. Völker
pp 9770–9776
Publication Date (Web): October 14, 1999 (Article)
DOI: 10.1021/jp990805x

Polarized Resonance Raman Spectroscopy Reveals Two Different Conformers of Metallo(II)octamethylchlorins in CS2

Robert J. Lipski, Esko Unger, and Reinhard Schweitzer-Stenner
pp 9777–9781
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp9918858

The Photophysical Properties of the Adenine Chromophore

Joakim Andréasson, Anders Holmén, and Bo Albinsson
pp 9782–9789
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp991888k

In Vivo, in Vitro, and Calculated Vibrational Spectra of Plastoquinone and the Plastosemiquinone Anion Radical

M. Reza Razeghifard, Sunyoung Kim, Jason S. Patzlaff, Ronald S. Hutchison, Thomas Krick, Idelisa Ayala, Jacqueline J. Steenhuis, Scott E. Boesch, Ralph A. Wheeler, and Bridgette A. Barry
pp 9790–9800
Publication Date (Web): October 16, 1999 (Article)
DOI: 10.1021/jp991942x

GENERAL PHYSICAL CHEMISTRY

Single- and Triple-Quantum 27Al MAS NMR Study of the Thermal Transformation of Kaolinite

João Rocha
pp 9801–9804
Publication Date (Web): October 07, 1999 (Article)
DOI: 10.1021/jp991516b
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