Table of Contents

August 19, 2004
Volume 108, Issue 33
Pages 12259-12628

About the Cover: Optimized structure of the tetrahedral Au20 coordinated with four PH3 ligands (see page 12259). View the article.

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LETTERS

Toward the Solution Synthesis of the Tetrahedral Au20 Cluster

Hai-Feng Zhang, Matthias Stender, Rui Zhang, Chongmin Wang, Jun Li, and Lai-Sheng Wang
pp 12259–12263
Publication Date (Web): May 19, 2004 (Letter)
DOI: 10.1021/jp048636q

Selective Catalytic Reduction of Nitric Oxide by Ammonia:  The Activation Mechanism

Yuka Kobayashi, Nobuo Tajima, Haruyuki Nakano, and Kimihiko Hirao
pp 12264–12266
Publication Date (Web): July 27, 2004 (Letter)
DOI: 10.1021/jp047957z

All-Atom Folding Simulations of the Villin Headpiece from Stochastically Selected Coarse-Grained Structures

Giacomo M. S. De Mori, Cristian Micheletti, and Giorgio Colombo
pp 12267–12270
Publication Date (Web): July 23, 2004 (Letter)
DOI: 10.1021/jp0477699

Spontaneous Formation of Silica Nanoparticles in Basic Solutions of Small Tetraalkylammonium Cations

Joseph M. Fedeyko, Jeffrey D. Rimer, Raul F. Lobo, and Dionisios G. Vlachos
pp 12271–12275
Publication Date (Web): July 27, 2004 (Letter)
DOI: 10.1021/jp047623+

Cadmium Ion Adsorption on Carboxyl-Terminated Iron Oxide Beads

Jun Wu, Josephine Sun, Ionel C. Stefan, and Daniel A. Scherson
pp 12276–12279
Publication Date (Web): July 28, 2004 (Letter)
DOI: 10.1021/jp047360j

FEATURE ARTICLE

Structure Analysis of Nanowires and Nanobelts by Transmission Electron Microscopy

Yong Ding and Zhong Lin Wang
pp 12280–12291
Publication Date (Web): July 24, 2004 (Feature Article)
DOI: 10.1021/jp048163n

ARTICLES
PHYSICAL CHEMISTRY OF MATERIALS: FROM NANOPARTICLES TO MACROMOLECULES

A First Principles Analysis of the Location and Affinity of Protons in the Secondary Structure of Phosphotungstic Acid

Michael J. Janik, Robert J. Davis, and Matthew Neurock
pp 12292–12300
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp049843t

United Atom Force Field for Alkanes in Nanoporous Materials

D. Dubbeldam, S. Calero, T. J. H. Vlugt, R. Krishna, T. L. M. Maesen, and B. Smit
pp 12301–12313
Publication Date (Web): July 23, 2004 (Article)
DOI: 10.1021/jp0376727

Synthesis and Characterization of High-Energy Nanoparticles

Liza Mercado, Perla M. Torres, Lewis M. Gomez, Nairmen Mina, Samuel P. Hernández, Richard Lareau, R. Thomas Chamberlain, and Miguel E. Castro-Rosario
pp 12314–12317
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp0374206

Heterostructures of ZnO Nanorods with Various One-Dimensional Nanostructures

Seung Yong Bae, Hee Won Seo, Hyun Chul Choi, Jeunghee Park, and Jucheol Park
pp 12318–12326
Publication Date (Web): July 23, 2004 (Article)
DOI: 10.1021/jp048918q

Dominant Role of C−Br···N Halogen Bond in Molecular Self-Organization. Crystallographic and Quantum-Chemical Study of Schiff-Base-Containing Triazoles

Sławomir Berski, Zbigniew Ciunik, Krzysztof Drabent, Zdzisław Latajka, and Jarosław Panek
pp 12327–12332
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp049742v

Berreman Effect in Amorphous and Crystalline WO3 Thin Films

B. Cláudio Trasferetti, F. Paulo Rouxinol, Rogério V. Gelamo, and Mário A. Bica de MoraesCelso U. DavanzoDalva L. A. de Faria
pp 12333–12338
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp036653u

Structure and Dynamics of Disodium Hydrogen 12-Tungstophosphoric Acid

Steven F. DecAndrew M. Herring
pp 12339–12351
Publication Date (Web): July 24, 2004 (Article)
DOI: 10.1021/jp038044s

Formation of Multilayer Polyelectrolyte Complexes by Using Block Ionomer Micelles as Nucleating Particles

Evgeniy A. Lysenko, Pavel S. Chelushkin, Tatiana K. Bronich, Adi Eisenberg, Victor A. Kabanov, and Alexander V. Kabanov
pp 12352–12359
Publication Date (Web): July 28, 2004 (Article)
DOI: 10.1021/jp048777s

Characterization of Oxides of Cesium

A. Band, A. Albu-Yaron, T. Livneh, H. Cohen, Y. Feldman, L. Shimon, R. Popovitz-Biro, V. Lyahovitskaya, and R. Tenne
pp 12360–12367
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp036432o

In Situ IR Spectrum of 12-Tungstophosphoric Acid Hexahydrate with Planar H5O2+

Masaki Hashimoto, Gaku Koyano, and Noritaka Mizuno
pp 12368–12374
Publication Date (Web): July 24, 2004 (Article)
DOI: 10.1021/jp0485744

The Structural Characterization of Oligonucleotide-Modified Gold Nanoparticle Networks Formed by DNA Hybridization

So-Jung Park, Anne A. Lazarides, James J. Storhoff, Lorenzo Pesce, and Chad A. Mirkin
pp 12375–12380
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp040242b

Preparation and Investigation of Thermolysis of l-Aspartic Acid-Intercalated Layered Double Hydroxide

Qi Yuan, Min Wei, David G. Evans, and Xue Duan
pp 12381–12387
Publication Date (Web): July 23, 2004 (Article)
DOI: 10.1021/jp037386v

Conductivity Studies of Nanostructured TiO2 Films Permeated with Electrolyte

Helena Greijer Agrell, Gerrit Boschloo, and Anders Hagfeldt
pp 12388–12396
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp037119p

Time-Resolved Study of Luminescence in LiGd1-xF4:Eu3+x

Nobuyuki Takeuchi, Shinngo Ishida, Arima Matsumura, and Yo-ichi Ishikawa
pp 12397–12403
Publication Date (Web): July 22, 2004 (Article)
DOI: 10.1021/jp031345h

NMR Self-Diffusion and Viscosity of Polyurethane Formulations for Rocket Propellants

Kai F. Grythe, Finn K. Hansen, and Harald Walderhaug
pp 12404–12412
Publication Date (Web): July 28, 2004 (Article)
DOI: 10.1021/jp049713k

Remnant X-ray Magnetic Circular Dichroism Investigation of the Local Magnetic Contributions to the Magnetization of a Coercive Bimetallic Molecule-Based Magnet

Cyrille Train, François Baudelet, and Christophe Cartier dit Moulin
pp 12413–12417
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp049522h

Molecular Dynamics Simulations of the Polymerization of Aqueous Silicic Acid and Analysis of the Effects of Concentration on Silica Polymorph Distributions, Growth Mechanisms, and Reaction Kinetics

Niny Z. Rao and Lev D. Gelb
pp 12418–12428
Publication Date (Web): July 28, 2004 (Article)
DOI: 10.1021/jp049169f

Synthesis and Characterization of Colloidal CuInS2 Nanoparticles from a Molecular Single-Source Precursor

Stephanie L. Castro, Sheila G. Bailey, Ryne P. Raffaelle, Kulbinder K. Banger, and Aloysius F. Hepp
pp 12429–12435
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp049107p

Water in Glassy Carbohydrates:  Opening It Up at the Nanolevel

Duncan Kilburn, Johanna Claude, Raffaele Mezzenga, Gunter Dlubek, Ashraf Alam, and Job Ubbink
pp 12436–12441
Publication Date (Web): July 22, 2004 (Article)
DOI: 10.1021/jp048774f

Anomalous Small-Angle X-ray Scattering Study on the Nanostructure of Co-Sputtered Platinum/Carbon Layers

T. Vad, F. Hajbolouri, H.-G. Haubold, G. G. Scherer, and A. Wokaun
pp 12442–12449
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp048682q

Diamagnetic Clusters of Paramagnetic Endometallofullerenes:  A Solid-State MAS NMR Study

Vitaly K. Koltover, John W. Logan, Henrike Heise, Vyacheslav P. Bubnov, Yakov I. Estrin, Ivan E. Kareev, Vera P. Lodygina, and Alexander Pines
pp 12450–12455
Publication Date (Web): July 28, 2004 (Article)
DOI: 10.1021/jp048610z

Atomic and Electronic Bulk versus Surface Structure:  Lithium Intercalation in Anatase TiO2

M. Wagemaker, D. Lützenkirchen-Hecht, A. A. van Well, and R. Frahm
pp 12456–12464
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp048567f

Synthesis and Characterization of Zr(IV) Polyoxotungstates as Molecular Analogues of Zirconia-Supported Tungsten Catalysts

Richard Villanneau, Hugo Carabineiro, Xavier Carrier, René Thouvenot, Patrick Herson, Francisco Lemos, Fernando Ramôa Ribeiro, and Michel Che
pp 12465–12471
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp048506h

A NEXAFS Examination of Unsaturation in Plasma Polymers of Allylamine and Propylamine

Alexander G. Shard, Jason D. Whittle, Alison J. Beck, Patrick N. Brookes, Nial A. Bullett, Rosnita A. Talib, Anita Mistry, David Barton, and Sally L. McArthur
pp 12472–12480
Publication Date (Web): July 22, 2004 (Article)
DOI: 10.1021/jp048250f

Urea-Based Hydrothermally Derived Homogeneous Nanostructured Ce1-xZrxO2 (x = 0−0.8) Solid Solutions:  A Strong Correlation between Oxygen Storage Capacity and Lattice Strain

Rui Si, Ya-Wen Zhang, Shi-Jie Li, Bing-Xiong Lin, and Chun-Hua Yan
pp 12481–12488
Publication Date (Web): July 22, 2004 (Article)
DOI: 10.1021/jp048084b

PHYSICAL CHEMISTRY OF SURFACES AND INTERFACES

Effect of Molecular Structure on Interfacial Electron Transfer Dynamics of 7-N,N-Dimethyl Coumarin 4-Acetic Acid (DMACA) and 7-Hydroxy Coumarin 4-Acetic Acid (HCA) Sensitized TiO2 and ZrO2 Nanoparticles

G. Ramakrishna, Ajay K. Singh, Dipak K. Palit, and Hirendra N. Ghosh
pp 12489–12496
Publication Date (Web): July 22, 2004 (Article)
DOI: 10.1021/jp049701z

Hole Scavenging and Photo-Stimulated Recombination of Electron−Hole Pairs in Aqueous TiO2 Nanoparticles

Ilya A. Shkrob and Myran C. Sauer, Jr.
pp 12497–12511
Publication Date (Web): July 24, 2004 (Article)
DOI: 10.1021/jp047736t

Efficient, Rapid Photooxidation of Chemisorbed Polyhydroxyl Alcohols and Carbohydrates by TiO2 Nanoparticles in an Aqueous Solution

Ilya A. Shkrob, Myran C. Sauer, Jr., and David Gosztola
pp 12512–12517
Publication Date (Web): July 24, 2004 (Article)
DOI: 10.1021/jp0477351

Isolated Molecular Ion Solvation at an Oil/Water Interface Investigated by Vibrational Sum-Frequency Spectroscopy

Lawrence F. Scatena and Geraldine L. Richmond
pp 12518–12528
Publication Date (Web): July 28, 2004 (Article)
DOI: 10.1021/jp048378x

Activation of Au/γ-Al2O3 Catalysts for CO Oxidation:  Characterization by X-ray Absorption Near Edge Structure and Temperature Programmed Reduction

C. K. Costello, J. Guzman, J. H. Yang, Y. M. Wang, M. C. Kung, B. C. Gates, and H. H. Kung
pp 12529–12536
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp048643e

Surface Structure of a Complex Inorganic Crystal in Aqueous Solution from Classical Molecular Simulation

Michael Brunsteiner and Sarah L. Price
pp 12537–12546
Publication Date (Web): July 28, 2004 (Article)
DOI: 10.1021/jp0488259

Optical Characterization of Oligo(phenylene−ethynylene) Self-Assembled Monolayers on Gold

Lee J. Richter, Clayton S.-C. Yang, Philip T. Wilson, Christina A. Hacker, and Roger D. van ZeeJoshua J. Stapleton and David L. AllaraYuxing Yao and James M. Tour
pp 12547–12559
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp0492366

The Selective Formation of Di-σ N−Si Linkages in Pyrazine Binding on Si(111)-7 × 7

Hai Gou Huang, Zhong Hai Wang, and Guo Qin Xu
pp 12560–12567
Publication Date (Web): July 22, 2004 (Article)
DOI: 10.1021/jp037456y

Surface Plasmon-Coupled Emission with Gold Films

Ignacy Gryczynski, Joanna Malicka, Zygmunt Gryczynski, and Joseph R. Lakowicz
pp 12568–12574
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp040221h

The Interaction of Water with the Pt(533) Surface

Mihail L. Grecea, Ellen H. G. Backus, Bernd Riedmüller, Andreas Eichler, Aart W. Kleyn, and Mischa Bonn
pp 12575–12582
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp049392c

Ultrafast Direct and Indirect Electron-Injection Processes in a Photoexcited Dye-Sensitized Nanocrystalline Zinc Oxide Film:  The Importance of Exciplex Intermediates at the Surface

Akihiro Furube, Ryuzi Katoh, Toshitada Yoshihara, Kohjiro Hara, Shigeo Murata, Hironori Arakawa, and M. Tachiya
pp 12583–12592
Publication Date (Web): July 24, 2004 (Article)
DOI: 10.1021/jp0487713

STATISTICAL MECHANICS AND THERMODYNAMICS OF CONDENSED MATTER

Contributions from Dispersion and Born Self-Free Energies to the Solvation Energies of Salt Solutions

M. Boström and B. W. Ninham
pp 12593–12595
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp048517a

Different Weak C−H···O Contacts in N-Methylacetamide-Water System:  Molecular Dynamics Simulations and NMR Experimental Study

Rong Zhang, Haoran Li, Yi Lei, and Shijun Han
pp 12596–12601
Publication Date (Web): July 24, 2004 (Article)
DOI: 10.1021/jp049623f

BIOPHYSICAL CHEMISTRY

Excited-State Axial-Ligand Photodissociation and Nonpolar Protein-Matrix Reorganization in Zn(II)-Substituted Cytochrome c

Sanela Lampa-Pastirk, Ruth C. Lafuente, and Warren F. Beck
pp 12602–12607
Publication Date (Web): July 22, 2004 (Article)
DOI: 10.1021/jp049587k

Atomistic Simulation Study of the Coupled Motion of Amino Acid Residues and Water Molecules around Protein HP-36: Fluctuations at and around the Active Sites

Sanjoy Bandyopadhyay, Sudip Chakraborty, Sundaram Balasubramanian, Subrata Pal, and Biman Bagchi
pp 12608–12616
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp048532f

GENERAL PHYSICAL CHEMISTRY

Numerical Calculation of the Dielectric Spectra of Cell-Type Particles

Viviana Zimmerman and Constantino Grosse
pp 12617–12622
Publication Date (Web): July 27, 2004 (Article)
DOI: 10.1021/jp0487760

Distinctive Pressure Effects on the Association Equilibrium in Cyclodextrin Group-Inclusion Complex as Studied with Electron Paramagnetic Resonance

Yoshimi Sueishi and Hideto TobisakoYashige Kotake
pp 12623–12627
Publication Date (Web): July 23, 2004 (Article)
DOI: 10.1021/jp040326k

ADDITIONS AND CORRECTIONS

Correction to “New Metal−N−H System Composed of Mg(NH2)2 and LiH for Hydrogen Storage”

Haiyan Leng, Takayuki Ichikawa, Satoshi Hino, Nobuko Hanada, Shigehito Isobe, and Hironobu Fujii:
p 12628
Publication Date (Web): July 27, 2004 (Addition/Correction)
DOI: 10.1021/jp0404854
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