Table of Contents

January 10, 2002
Volume 106, Issue 1
Pages 1-230

About the Cover: Real-time kinetics with molecular-scale information-Xe hydrate formation by hyperpolarized 129Xe NMR spectroscopy. The paper for this cover art, "Nucleation and Growth of Hydrates on Ice Surfaces", by Moudrakovski, Sanchez, Ratcliffe, and Ripmeester, was published in issue 49, December 13, 2001. Please see pages 12338-12347 of The Journal of Physical Chemistry B, volume 105. View the article.

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LETTERS

The Raman Spectrum of Ice XII and Its Relation to that of a New “High-Pressure Phase of H2O Ice”

Christoph Salzmann, Ingrid Kohl, Thomas Loerting, Erwin Mayer, and Andreas Hallbrucker
pp 1–6
Publication Date (Web): December 08, 2001 (Letter)
DOI: 10.1021/jp012755d

Hole Size and Energetics in Double Helical DNA:  Competition between Quantum Delocalization and Solvation Localization

I. V. Kurnikov, G. S. M. Tong, M. Madrid, and D. N. Beratan
pp 7–10
Publication Date (Web): December 13, 2001 (Letter)
DOI: 10.1021/jp0132329

Structure of Solutions of Lithium in Methylamine across the Metal−Nonmetal Transition

Shusaku Hayama, Jonathan C. Wasse, and Neal T. SkipperAlan K. Soper
pp 11–14
Publication Date (Web): December 13, 2001 (Letter)
DOI: 10.1021/jp0155361

Selective Formation of C2 Compounds from Electrochemical Reduction of CO2 at a Series of Copper Single Crystal Electrodes

Yoshio Hori, Ichiro Takahashi, Osamu Koga, and Nagahiro Hoshi
pp 15–17
Publication Date (Web): December 08, 2001 (Letter)
DOI: 10.1021/jp013478d

Photoinduced Charge Separation in a Fluorophore−Gold Nanoassembly

Binil Itty Ipe and K. George ThomasSaid Barazzouk, Surat Hotchandani, and Prashant V. Kamat
pp 18–21
Publication Date (Web): December 08, 2001 (Letter)
DOI: 10.1021/jp0134695

ARTICLES
PHYSICAL CHEMISTRY OF MATERIALS: FROM NANOPARTICLES TO MACROMOLECULES

Self-Organization, Phase Behavior, and Microstructure of Poly(oxyethylene) Poly(dimethylsiloxane) Surfactants in Nonpolar Oil

Carlos Rodríguez, Md. Hemayet Uddin, Kenichi Watanabe, Haruhiko Furukawa, Asao Harashima, and Hironobu Kunieda
pp 22–29
Publication Date (Web): December 08, 2001 (Article)
DOI: 10.1021/jp0121264

In Situ Observations of High-Pressure Phase Transformations in a Synthetic Methane Hydrate

Hiroyasu Shimizu, Tatsuya Kumazaki, Tetsuji Kume, and Shigeo Sasaki
pp 30–33
Publication Date (Web): December 13, 2001 (Article)
DOI: 10.1021/jp013010a

Solvation Structure of Bromide Ion in Anion-Exchange Resins

Makoto Harada and Tetsuo OkadaIwao Watanabe
pp 34–40
Publication Date (Web): November 29, 2001 (Article)
DOI: 10.1021/jp011390u

Gold/Nickel Ultrathin Bimetallic Overlayers on Yttria-Stabilized ZrO2 (100)

S. Zafeiratos and S. Kennou
pp 41–48
Publication Date (Web): December 06, 2001 (Article)
DOI: 10.1021/jp0124591

Structure of Vanadium Oxosulfato Complexes in V2O5−M2S2O7−M2SO4 (M = K, Cs) Melts. A High Temperature Spectroscopic Study

Soghomon Boghosian, Athanassios Chrissanthopoulos, and Rasmus Fehrmann
pp 49–56
Publication Date (Web): December 13, 2001 (Article)
DOI: 10.1021/jp0126715

Linear Framework Defects in Zeolite Mordenite

B. J. Campbell and A. K. Cheetham
pp 57–62
Publication Date (Web): December 04, 2001 (Article)
DOI: 10.1021/jp0128372

Interaction of Dipropylamine Template Molecules with the Framework of as-Synthesized AlPO4-31

Gregor Mali, Anton Meden, Alenka Ristić, Nataša Novak Tušar, and Veneslav Kaui
pp 63–69
Publication Date (Web): December 05, 2001 (Article)
DOI: 10.1021/jp012942b

Electrochemical and Photophysical Properties of a Novel Polythiophene with Pendant Fulleropyrrolidine Moieties:  Toward “Double Cable” Polymers for Optoelectronic Devices

Antonio Cravino, Gerald Zerza, Helmut Neugebauer, Michele Maggini, Stefania Bucella, Enzo Menna, Mattias Svensson, Mats R. Andersson, Christoph J. Brabec, and N. Serdar Sariciftci
pp 70–76
Publication Date (Web): December 11, 2001 (Article)
DOI: 10.1021/jp013077y

PHYSICAL CHEMISTRY OF SURFACES AND INTERFACES

Modification of Alkanethiolate Self-Assembled Monolayers by Free Radical-Dominant Plasma

Jiunn-Der Liao, Ming-Chen Wang, and Chih-Chiang WengRuth KlauserStefan Frey, Michael Zharnikov, and Michael Grunze
pp 77–84
Publication Date (Web): December 01, 2001 (Article)
DOI: 10.1021/jp011119c

Spectroscopic and Transient Kinetic Studies of Site Requirements in Iron-Catalyzed Fischer−Tropsch Synthesis

Senzi Li, Weiping Ding, George D. Meitzner, and Enrique Iglesia
pp 85–91
Publication Date (Web): December 13, 2001 (Article)
DOI: 10.1021/jp0118827

Adsorption of Sulforhodamine Dyes in Cationic Langmuir−Blodgett Films:  Spectroscopic and Structural Studies

Krishanu Ray and Hiroo Nakahara
pp 92–100
Publication Date (Web): December 06, 2001 (Article)
DOI: 10.1021/jp011946d

Surface-Enhanced Raman Spectroscopic and Density Functional Theory Study of Adenine Adsorption to Silver Surfaces

Bernd Giese and Don McNaughton
pp 101–112
Publication Date (Web): December 13, 2001 (Article)
DOI: 10.1021/jp010789f

Photochemical Reaction of Diazomethane with Hydrogen-Terminated Silicon Surfaces

Lars H. Lie, Samson N. Patole, Edward R. Hart, Andrew Houlton, and Benjamin R. Horrocks
pp 113–120
Publication Date (Web): December 12, 2001 (Article)
DOI: 10.1021/jp013148t

Quantum Chemical Analysis of Thermodynamics of the Two-Dimensional Cluster Formation at the Air/Water Interface

Yu. B. Vysotsky, V. S. Bryantsev, V. B. Fainerman, D. Vollhardt, and R. Miller
pp 121–131
Publication Date (Web): December 07, 2001 (Article)
DOI: 10.1021/jp012919q

Fourier Transform Near-Infrared Absorption Spectroscopic Study of Catalytic Isomerization of Quadricyclane to Norbornadiene by Copper(II) and Tin(II) Salts

Eric Chau-Chin Chuang and King-Chuen Lin
pp 132–136
Publication Date (Web): November 28, 2001 (Article)
DOI: 10.1021/jp012199n

NOx Storage on BaO(100) Surface from First Principles:  a Two Channel Scenario

Peter Broqvist, Itai Panas, Erik Fridell, and Hans Persson
pp 137–145
Publication Date (Web): November 30, 2001 (Article)
DOI: 10.1021/jp0126457

Cluster Coagulation and Growth Limited by Surface Interactions with Polymers

Horacio G. Rotstein, and Rina Tannenbaum
pp 146–151
Publication Date (Web): December 11, 2001 (Article)
DOI: 10.1021/jp012784o

A Full Analytic Treatment of Reversible Linear-Scan Voltammetry with Square-Wave Modulation

Keith B. Oldham, David J. Gavaghan, and Alan M. Bond
pp 152–157
Publication Date (Web): December 12, 2001 (Article)
DOI: 10.1021/jp0128022

STATISTICAL MECHANICS AND THERMODYNAMICS OF CONDENSED MATTER

Quasi-Elastic Neutron Scattering Study of Translational Dynamics of Hydration Water in Tricalcium Silicate

Emiliano Fratini, Sow-Hsin Chen, Piero Baglioni, and Marie-Claire Bellissent-Funel
pp 158–166
Publication Date (Web): November 30, 2001 (Article)
DOI: 10.1021/jp010536m

Experimental Investigations of Nucleation in Helium−Oxygen Mixtures

Vladimir Baidakov, Alexei Kaverin, and Grey Boltachev
pp 167–175
Publication Date (Web): December 07, 2001 (Article)
DOI: 10.1021/jp0111923

Electron Transfer Modeling in Condensed Phase by Molecular Dynamics Simulation:  Application to Methylene Blue-Guanine Complex in Water

Mironel Enescu, Jaqueline Ridard, Victor Gheorghe, and Bernard Levy
pp 176–184
Publication Date (Web): December 12, 2001 (Article)
DOI: 10.1021/jp011891f

Temperature Dependence of the Excess Molar Heat Capacities for Alcohol−Alkane Mixtures. Experimental Testing of the Predictions from a Two-State Model

Claudio A. Cerdeiriña, Clara A. Tovar, Enrique Carballo, Luis Romaní, María del Carmen Delgado, Luis A. Torres, and Miguel Costas
pp 185–191
Publication Date (Web): December 11, 2001 (Article)
DOI: 10.1021/jp0123278

Thermal Conductivity and Heat Capacity of Dianin's Clathrates under Pressure

Ove Andersson, Vladimir Murashov, and Mary Anne White
pp 192–196
Publication Date (Web): December 08, 2001 (Article)
DOI: 10.1021/jp0126964

Heat Capacity of the Halogen-Bridged Mixed-Valence Complex Pt2(dta)4I (dta = CH3CS2-)

Yuji Miyazaki, Qi Wang, Akane Sato, Kazuya Saito, Masahiro Yamamoto, Hiroshi Kitagawa, Tadaoki Mitani, and Michio Sorai
pp 197–202
Publication Date (Web): December 12, 2001 (Article)
DOI: 10.1021/jp013038m

Canonical Adiabatic Free Energy Sampling (CAFES):  A Novel Method for the Exploration of Free Energy Surfaces

Joost VandeVondele and Ursula Rothlisberger
pp 203–208
Publication Date (Web): December 13, 2001 (Article)
DOI: 10.1021/jp013346k

BIOPHYSICAL CHEMISTRY

Positioning and Stabilization of Dynorphin Peptides in Membrane Bilayers:  the Mechanistic Role of Aromatic and Basic Residues Revealed from Comparative MD Simulations

Ramasubbu Sankararamakrishnan and Harel Weinstein
pp 209–218
Publication Date (Web): December 05, 2001 (Article)
DOI: 10.1021/jp012174o

GENERAL PHYSICAL CHEMISTRY

The Transition from Vesicles to Micelles Induced by Octane in Aqueous Surfactant Two-Phase Systems

Min Mao, Jianbin Huang, Buyao Zhu, and Jianping Ye
pp 219–225
Publication Date (Web): December 08, 2001 (Article)
DOI: 10.1021/jp0107255

COMMENTS

Comments on “Anomalous Preservation of Pure Methane Hydrate at 1 atm”

Joseph W. Wilder and Duane H. Smith
pp 226–227
Publication Date (Web): November 21, 2001 (Comment)
DOI: 10.1021/jp011450w

Reply to “Comments on ‘Anomalous Preservation of Pure Methane Hydrate at 1 atm'”

L. A. Stern, S. Circone, S. H. Kirby, and W. B. Durham
pp 228–230
Publication Date (Web): December 05, 2001 (Comment)
DOI: 10.1021/jp012189m
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