Table of Contents

October 5, 2006
Volume 110, Issue 39
Pages 19083-19744

About the Cover: Competition between atmospherically relevant fatty acid monolayers at the air/water interface (see page 19487). View the article.

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LETTERS

Electrical Property of Mo-Doped VO2 Nanowire Array Film by Melting−Quenching Sol−Gel Method

L. Q. Mai, B. Hu, T. Hu, W. Chen, and E. D. Gu
pp 19083–19086
Publication Date (Web): September 06, 2006 (Letter)
DOI: 10.1021/jp0642701

Molecular Water on Exposed Al3+ Cations Is a Source of Acidity in Silicoaluminas

Edoardo Garrone, Barbara Onida, Barbara Bonelli, Claudia Busco, and Piero Ugliengo
pp 19087–19092
Publication Date (Web): September 12, 2006 (Letter)
DOI: 10.1021/jp0624552

Tail Ordering Due to Headgroup Hydrogen Bonding Interactions in Surfactant Monolayers at the Water−Oil Interface

Aleksey M. Tikhonov, Harshit Patel, Shekhar Garde, and Mark L. Schlossman
pp 19093–19096
Publication Date (Web): September 07, 2006 (Letter)
DOI: 10.1021/jp064120q

Optimum Hole-Opening Condition for Cisplatin Incorporation in Single-Wall Carbon Nanohorns and Its Release

Kumiko Ajima, Alan Maigné, Masako Yudasaka, and Sumio Iijima
pp 19097–19099
Publication Date (Web): September 02, 2006 (Letter)
DOI: 10.1021/jp064915x

Catalyzed Radical Polymerization of Styrene Vapor on Nanoparticle Surfaces and the Incorporation of Metal and Metal Oxide Nanoparticles within Polystyrene Polymers

Victor Abdelsayed, Edreese Alsharaeh, and M. Samy El-Shall
pp 19100–19103
Publication Date (Web): September 07, 2006 (Letter)
DOI: 10.1021/jp064720p

Direct Solid-State NMR Spectroscopic Evidence for the NH4AlF4 Crystalline Phase Derived from Zeolite HY Dealuminated with Ammonium Hexafluorosilicate

Hsien-Ming Kao and Pai-Ching Chang
pp 19104–19107
Publication Date (Web): September 09, 2006 (Letter)
DOI: 10.1021/jp064938b

Formation of Regular Surface-Supported Mesostructures with Periodicity Controlled by Chemical Reaction Rate

A. Locatelli, T. O. Mentes, L. Aballe, A. Mikhailov, and M. Kiskinova
pp 19108–19111
Publication Date (Web): September 13, 2006 (Letter)
DOI: 10.1021/jp065090u

X-ray Photoemission for Probing Charging/Discharging Dynamics

Sefik Suzer and Aykutlu Dâna
pp 19112–19115
Publication Date (Web): September 06, 2006 (Letter)
DOI: 10.1021/jp0644006

ARTICLES
PHYSICAL CHEMISTRY OF MATERIALS: FROM NANOPARTICLES TO MACROMOLECULES

Orbital Interaction Mechanisms of Conductance Enhancement and Rectification by Dithiocarboxylate Anchoring Group

Zhenyu Li and Daniel S. Kosov
pp 19116–19120
Publication Date (Web): September 14, 2006 (Article)
DOI: 10.1021/jp065120t

Mechanisms, Pathways, and Dynamics of Excited-State Energy Flow in Self-Assembled Wheel-and-Spoke Light-Harvesting Architectures

Hee-eun Song, Christine Kirmaier, Jennifer K. Schwartz, Eve Hindin, Lianhe Yu, David F. Bocian, Jonathan S. Lindsey, and Dewey Holten
pp 19121–19130
Publication Date (Web): September 13, 2006 (Article)
DOI: 10.1021/jp064000i

Effects of Multiple Pathways on Excited-State Energy Flow in Self-Assembled Wheel-and-Spoke Light-Harvesting Architectures

Hee-eun Song, Christine Kirmaier, Jennifer K. Schwartz, Eve Hindin, Lianhe Yu, David F. Bocian, Jonathan S. Lindsey, and Dewey Holten
pp 19131–19139
Publication Date (Web): September 13, 2006 (Article)
DOI: 10.1021/jp064001a

Polymer−Nanoparticle Complexes:  From Dilute Solution to Solid State

Jean-François BerretKazuhiko YokotaMikel MorvanRalf Schweins
pp 19140–19146
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp0603177

Low-Temperature Growth of Uniform ZnO Particles with Controllable Ellipsoidal Morphologies and Characteristic Luminescence Patterns

Rongguo XieDongsheng Li, Hui Zhang, and Deren YangMinhua JiangTakashi SekiguchiBaodan Liu and Yoshi Bando
pp 19147–19153
Publication Date (Web): September 08, 2006 (Article)
DOI: 10.1021/jp0605449

Solution and Solid-State Spectra of Quinacridone Derivatives as Viewed from the Intermolecular Hydrogen Bond

Jin Mizuguchi and Takatoshi Senju
pp 19154–19161
Publication Date (Web): September 08, 2006 (Article)
DOI: 10.1021/jp060915l

Fabrication of Nanorattles with Passive Shell

Hao Ming Chen, Ru-Shi Liu, Kiyotaka Asakura, Jyh-Fu Lee, Ling-Yun Jang, and Shu-Fen Hu
pp 19162–19167
Publication Date (Web): September 13, 2006 (Article)
DOI: 10.1021/jp061886h

Disintegration Mechanisms of Charged Aqueous Nanodroplets Studied by Simulations and Analytical Models

Kengo Ichiki and Styliani Consta
pp 19168–19175
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp062222a

Hybrid Materials Covalently Incorporated with Isophorone-Based Dyes through Sol−Gel Process for Nonlinear Optical Applications

Lujian Chen, Guodong Qian, Yuanjing Cui, Xuefeng Jin, Zhiyu Wang, and Minquan Wang
pp 19176–19182
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp063802a

Toward Efficient Photomodulation of Conjugated Polymer Emission:  Optimizing Differential Energy Transfer in Azobenzene-Substituted PPV Derivatives

Amy F. Grimes, Scott E. Call, Diego A. Vicente, Douglas S. English, and Elizabeth J. Harbron
pp 19183–19190
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0613236

Influence of a TiCl4 Post-Treatment on Nanocrystalline TiO2 Films in Dye-Sensitized Solar Cells

P. M. Sommeling, B. C. O'Regan, R. R. Haswell, H. J. P. Smit, N. J. Bakker, J. J. T. Smits, J. M. Kroon, and J. A. M. van Roosmalen
pp 19191–19197
Publication Date (Web): September 08, 2006 (Article)
DOI: 10.1021/jp061346k

Octopolar Chromophores Based on Donor- and Acceptor-Substituted 1,3,5-Tris(phenylethynyl)benzenes:  Impact of meta-Conjugation on the Molecular and Electronic Structure by Means of Spectroscopy and Theory

María Moreno Oliva, Juan Casado, Gunther Hennrich, and Juan T. López Navarrete
pp 19198–19206
Publication Date (Web): September 01, 2006 (Article)
DOI: 10.1021/jp0627269

Dynamics of Benzene Guest Inside a Self-Assembled Cylindrical Capsule:  A Combined Solid-State 2H NMR and Molecular Dynamics Simulation Study

Alexandra R. Albunia, Carmine Gaeta, Placido Neri, Alfonso Grassi, and Giuseppe Milano
pp 19207–19214
Publication Date (Web): September 13, 2006 (Article)
DOI: 10.1021/jp0617423

High-Resolution Analysis of (Sc3C2)@C80 Metallofullerene by Third Generation Synchrotron Radiation X-ray Powder Diffraction

Eiji Nishibori, Ikuya Terauchi, Makoto Sakata, Masaki Takata, Yasuhiro Ito, Toshiki Sugai, and Hisanori Shinohara
pp 19215–19219
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp061740i

Gold and Silver Nanoparticles in Sensing and Imaging:  Sensitivity of Plasmon Response to Size, Shape, and Metal Composition

Kyeong-Seok Lee and Mostafa A. El-Sayed
pp 19220–19225
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp062536y

Toward the Comparison of Rare Earth Element and Actinide Behavior in Materials:  A Computational Study of Ce- and U-Bearing Britholites

Marjorie BertolusMireille Defranceschi
pp 19226–19232
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0629083

Electrochemical Observation of the Photoinduced Formation of Alloyed ZnSe(S) Nanocrystals

Nikolai P. Osipovich, Alexey Shavel, Sergey K. Poznyak, Nikolai Gaponik, and Alexander Eychmüller
pp 19233–19237
Publication Date (Web): September 13, 2006 (Article)
DOI: 10.1021/jp063104q

Dithiocarbamate-Capped Silver Nanoparticles

Moony C. Tong, Wei Chen, Jia Sun, Debraj Ghosh, and Shaowei Chen
pp 19238–19242
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0631174

Geometry Dependent Features of Optically Induced Forces between Silver Nanoparticles

Vance Wong and Mark A. Ratner
pp 19243–19253
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp063184y

First-Principles Electronic Structure Study of the Monoclinic Crystal Bismuth Triborate BiB3O6

Jun Yang and Michael Dolg
pp 19254–19263
Publication Date (Web): September 14, 2006 (Article)
DOI: 10.1021/jp0634151

Single Lanthanide-doped Oxide Nanoparticles as Donors in Fluorescence Resonance Energy Transfer Experiments

Didier Casanova, Domitille Giaume, Thierry Gacoin, Jean-Pierre Boilot, and Antigoni Alexandrou
pp 19264–19270
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp063229v

Nanoparticle Size Effects on Methanol Electrochemical Oxidation on Carbon Supported Platinum Catalysts

Kleber Bergamaski, Alexei L. N. Pinheiro, Erico Teixeira-Neto, and Francisco C. Nart
pp 19271–19279
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp063337h

Factors Governing the Quality of Aqueous CdTe Nanocrystals:  Calculations and Experiment

Alexey Shavel, Nikolai Gaponik, and Alexander Eychmüller
pp 19280–19284
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp063351u

Thermal Decomposition of Carbon Precursors in Decorated AFI Zeolite Crystals

Jian Pang Zhai, Zi Kang Tang, Frank L. Y. Lam, and Xijun Hu
pp 19285–19290
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp063633u

Direct Synthesis of Branched Gold Nanocrystals and Their Transformation into Spherical Nanoparticles

Hsiang-Yang Wu, Michael Liu, and Michael H. Huang
pp 19291–19294
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp063711d

Novel Shape Evolution of BaMoO4 Microcrystals

Qiang Gong, Xuefeng Qian, Hongliang Cao, Weimin Du, Xiaodong Ma, and Maosong Mo
pp 19295–19299
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0634205

Transformation of Hydrogel-Based Inverse Opal Photonic Sensors from FCC to L11 during Swelling

Yun-Ju Lee, Carla E. Heitzman, Walter R. Frei, H. T. Johnson, and Paul V. Braun
pp 19300–19306
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0638540

Substitutional Boron in Nanodiamond, Bucky-Diamond, and Nanocrystalline Diamond Grain Boundaries

A. S. Barnard and M. Sternberg
pp 19307–19314
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp0634252

High-Temperature Seedless Synthesis of Gold Nanorods

Peter Zijlstra, Craig Bullen, James W. M. Chon, and Min Gu
pp 19315–19318
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp0635866

Customized Morphologies of Self-Condensed Multisegment Polymer Nanowires

Satoshi Tsukuda, Shu Seki, Masaki Sugimoto, and Seiichi Tagawa
pp 19319–19322
Publication Date (Web): September 14, 2006 (Article)
DOI: 10.1021/jp0640981

Core−Shell Microspherical Ti1-xZrxO2 Solid Solution Photocatalysts Directly from Ultrasonic Spray Pyrolysis

Yu Huang, Zhi Zheng, Zhihui Ai, Lizhi Zhang, Xiaoxing Fan, and Zhigang Zou
pp 19323–19328
Publication Date (Web): September 14, 2006 (Article)
DOI: 10.1021/jp064135o

Intramolecular Charge Transfer Assisted by Conformational Changes in the Excited State of Fluorene-dibenzothiophene-S,S-dioxide Co-oligomers

Fernando B. Dias, Sam Pollock, Gordon Hedley, Lars-Olof Pålsson, and Andy MonkmanIrene I. Perepichka, Igor F. Perepichka, Mustafa Tavasli, and Martin R. Bryce
pp 19329–19339
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0643653

Vortices and Their Relation to Ring Currents and Magnetic Moments in Nanographenes in High Magnetic Field

S. Compernolle, L. F. Chibotaru, and A. Ceulemans
pp 19340–19351
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp063947h

PHYSICAL CHEMISTRY OF SURFACES AND INTERFACES

Kinetic Aspects of Ion Exchange in KhFek[Fe(CN)6]l·mH2O Compounds:  A Combined Electrical and Mass Transfer Functions Approach

D. Giménez-Romero, P. R. Bueno, C. Gabrielli, J. J. García-Jareño, H. Perrot, and F. Vicente
pp 19352–19363
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp061533i

Thermodynamic Aspects of Ion Intercalation in KhFek[Fe(CN)6]l·mH2O Compounds:  Application to the Everit's Salt/Prussian Blue Transition

D. Giménez-Romero, P. R. Bueno, J. J. García-Jareño, C. Gabrielli, H. Perrot, and F. Vicente
pp 19364–19368
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp061534a

Bundling and Diameter Selectivity in HiPco SWNTs Poly(p-phenylene vinylene-co-2,5-dioctyloxy-m-phenylene vinylene) Composites

S. M. Keogh, T. G. Hedderman, P. Lynch, G. F. Farrell, and H. J. Byrne
pp 19369–19374
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp056321k

Grazing Incidence X-ray Scattering to Probe the Self-Assembly of Phthalocyanine Nanorods on a Liquid Surface

Seán M. O'Flaherty, Lutz Wiegart, and Bernd Struth
pp 19375–19379
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp0610970

Interaction of Hydrogen with Cerium Oxide Surfaces:  a Quantum Mechanical Computational Study

Gianpaolo Vicario and Gabriele BalducciStefano Fabris, Stefano de Gironcoli, and Stefano Baroni
pp 19380–19385
Publication Date (Web): September 14, 2006 (Article)
DOI: 10.1021/jp061375v

Determination of Electron Transfer Kinetic Parameters by Fourier Transform Electrochemical Impedance Spectroscopic Analysis

Byoung-Yong Chang, Sung-Young Hong, Jung-Suk Yoo, and Su-Moon Park
pp 19386–19392
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp061773y

Determination of the Interfacial Characteristics of a Series of Bolaamphiphilic Poly(fluorooxetane) Surfactants through Molecular Dynamics Simulation

Brian C. Stephenson and Kenneth J. Beers
pp 19393–19405
Publication Date (Web): September 09, 2006 (Article)
DOI: 10.1021/jp0606107

Effect of Energy Disorder in Interfacial Kinetics of Dye-Sensitized Solar Cells with Organic Hole Transport Material

Juan Bisquert, Emilio Palomares, and César A. Quiñones
pp 19406–19411
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp0602023

Molecular Assembled Self-Doped Polyaniline Interlayer for Application in Polymer Light-Emitting Diode

Chien-Hsin Yang and Yi-Kai Chih
pp 19412–19417
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0612174

Water-Gas-Shift Reaction on Molybdenum Carbide Surfaces:  Essential Role of the Oxycarbide

Ping Liu and José A. Rodriguez
pp 19418–19425
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp0621629

Investigation of Electro-Oxidation of Methanol and Benzyl Alcohol at Boron-Doped Diamond Electrode:  Evidence for the Mechanism for Fouling Film Formation

Chia-Chin Chang, Li-Chia Chen, Shyh-Jiun Liu, and Hsien-Chang Chang
pp 19426–19432
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp062209q

A Comparison between Interfacial Electron-Transfer Rate Constants at Metallic and Graphite Electrodes

William J. Royea, Thomas W. Hamann, Bruce S. Brunschwig, and Nathan S. Lewis
pp 19433–19442
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp062141e

Relationship between the Growth Regime of Polyelectrolyte Multilayers and the Polyanion/Polycation Complexation Enthalpy

Nicolas Laugel, Cosette Betscha, Mathias Winterhalter, Jean-Claude Voegel, Pierre Schaaf, and Vincent Ball
pp 19443–19449
Publication Date (Web): September 08, 2006 (Article)
DOI: 10.1021/jp062264z

Gramicidin A Channel in a Matrix from a Semifluorinated Surfactant Monolayer

Marcin Broniatowski, Marina Nieto Suarez, Nuria Vila Romeu, and Patrycja Dynarowicz-Łtka
pp 19450–19455
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0623138

Self-Assembled Colloidal Crystals from ZrO2 Nanoparticles

Jonathan D. Woodward, Joseph M. Pickel, Lawrence M. Anovitz, William T. Heller, and Adam J. Rondinone
pp 19456–19460
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp062471z

Hemoglobin Adsorption to Silica Monitored with Polarization-Dependent Evanescent-Wave Cavity Ring-Down Spectroscopy

Michael A. Everest, Victoria M. Black, Andrew S. Haehlen, Greg A. Haveman, Christopher J. Kliewer, and Holly A. Neill
pp 19461–19468
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp062538i

On the Experimental Estimation of Surface Enhanced Raman Scattering (SERS) Cross Sections by Vibrational Pumping

R. C. Maher and L. F. CohenE. C. Le Ru and P. G. Etchegoin
pp 19469–19478
Publication Date (Web): September 09, 2006 (Article)
DOI: 10.1021/jp0626521

Controllable Organization of a Carboxylic Acid Type Gemini Surfactant at Different pH Values by Adding Copper(II) Ions

Xu Huang, Meiwen Cao, Jinben Wang, and Yilin Wang
pp 19479–19486
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0630121

Competition between Atmospherically Relevant Fatty Acid Monolayers at the Air/Water Interface

Laura F. Voss, Christopher M. Hadad, and Heather C. Allen
pp 19487–19490
Publication Date (Web): August 19, 2006 (Article)
DOI: 10.1021/jp062595b

The Role of O2 in SERS-Active Thin Metal Film Photodynamics

Michele L. Jacobson and Kathy L. Rowlen
pp 19491–19496
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp062738u

Comparing an Ionic Liquid to a Molecular Solvent in the Cesium Cation Extraction by a Calixarene:  A Molecular Dynamics Study of the Aqueous Interfaces

Nicolas Sieffert and Georges Wipff
pp 19497–19506
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp063045g

The Origin of Surface Stress Induced by Adsorption of Iodine on Gold

Drew R. Evans and Vincent S. J. Craig
pp 19507–19514
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp063232e

Kinetics of Photoinduced Electron Transfer in Polythiophene−Porphyrin−Fullerene Molecular Films

Tommi Vuorinen, Kimmo Kaunisto, Vladimir Chukharev, Nikolai V. Tkachenko, Alexandre Efimov, and Helge Lemmetyinen
pp 19515–19520
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp063076b

Spontaneous Attachment of Amines to Carbon and Metallic Surfaces

Iluminada Gallardo, Jean Pinson, and Neus Vilà
pp 19521–19529
Publication Date (Web): September 09, 2006 (Article)
DOI: 10.1021/jp063368c

Remarkable Effect of the Preparation Technique on the State of Cobalt Ions in BEA Zeolites Evidenced by FTIR Spectroscopy of Adsorbed CO and NO, TPR and XRD

Angelina Mihaylova, Konstantin Hadjiivanov, Stanislaw Dzwigaj, and Michel Che
pp 19530–19536
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp0634398

Gas Permeability in Polymer- and Surfactant-Stabilized Bubble Films

Gaëlle Andreatta, Lay-Theng Lee, Fuk Kay Lee, and Jean-Jacques Benattar
pp 19537–19542
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp063604j

Effect of Nanoparticles on the Interfacial Properties of Liquid/Liquid and Liquid/Air Surface Layers

Francesca Ravera, Eva Santini, Giuseppe Loglio, Michele Ferrari, and Libero Liggieri
pp 19543–19551
Publication Date (Web): September 14, 2006 (Article)
DOI: 10.1021/jp0636468

Ba Adsorption on the Stoichiometric and Defective TiO2 (110) Surface from First-Principles Calculations

M. A. San Miguel, J. Oviedo, and J. F. Sanz
pp 19552–19556
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp063735k

Understanding Adsorption Phenomena: Investigation of the Dye−Cellulose Interaction

Jayne Bird, Neil Brough, Sarah Dixon, and Stephen N. Batchelor
pp 19557–19561
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp063730n

Competition and Coadsorption of Di-acids and Carboxylic Acid Solvents on HOPG

Feng Tao, Julie Goswami, and Steven L. Bernasek
pp 19562–19569
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp063923a

STATISTICAL MECHANICS AND THERMODYNAMICS OF CONDENSED MATTER

Using the Constrained DFT Approach in Generating Diabatic Surfaces and Off Diagonal Empirical Valence Bond Terms for Modeling Reactions in Condensed Phases

Gongyi Hong, Edina Rosta, and Arieh Warshel
pp 19570–19574
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp0625199

Study on Vapor−Liquid Equilibria and Surface Tensions for Nonpolar Fluids by Renormalization Group Theory and Density Gradient Theory

Dong Fu
pp 19575–19581
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp063361v

Size-Dependent Enthalpy of Condensation

Vladimir K. Dobruskin
pp 19582–19585
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp0635009

Molecular Force Field for Ionic Liquids III:  Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions

José N. Canongia Lopes and Agílio A. H. Pádua
pp 19586–19592
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp063901o

How Ionic Are Room-Temperature Ionic Liquids? An Indicator of the Physicochemical Properties

Hiroyuki Tokuda, Seiji Tsuzuki, Md. Abu Bin Hasan Susan, Kikuko Hayamizu, and Masayoshi Watanabe
pp 19593–19600
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp064159v

Competing Evaporation and Condensation Processes during the Boiling of Methane

Dirk Zahn
pp 19601–19604
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp062221i

Density Functional Theory Study of Hydrogen Bonding in Ionic Molecular Materials

Nicole A. Benedek, Kay Latham, Ian K. Snook, and Irene Yarovsky
pp 19605–19610
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp062239t

BIOPHYSICAL CHEMISTRY

Entropy of Water in the Hydration Layer of Major and Minor Grooves of DNA

Biman Jana, Subrata Pal, Prabal K. Maiti, Shiang-Tai Lin, James T. Hynes, and Biman Bagchi
pp 19611–19618
Publication Date (Web): September 08, 2006 (Article)
DOI: 10.1021/jp061588k

Origin of the Dynamic Transition upon Pressurization of Crystalline Proteins

Alla Oleinikova, Nikolay Smolin, and Ivan Brovchenko
pp 19619–19624
Publication Date (Web): September 06, 2006 (Article)
DOI: 10.1021/jp0629590

Raman Microscopy for the Chemometric Analysis of Tumor Cells

Ahcene Taleb, James Diamond, John J. McGarvey, J. Renwick Beattie, Carla Toland, and Peter W. Hamilton
pp 19625–19631
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp061981q

Mechanism of Action of Anticancer Titanocene Derivatives:  An Insight from Quantum Chemical Calculations

Judit E. Šponer, Jerzy Leszczynski, and Jiří Šponer
pp 19632–19636
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp063477r

Thermodynamic and Infrared Analyses of the Interaction of Chlorpromazine with Phospholipid Monolayers

A. A. Hidalgo, A. S. Pimentel, M. Tabak, and O. N. Oliveira, Jr.
pp 19637–19646
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp0633143

Fluorescence Study of DNA Binding and Bending by EcoRI DNA Methyltransferase

Baocheng Ma, Jun Wang, and Xiaohong Fang
pp 19647–19651
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp0574293

Characterization of Nucleobase−Amino Acid Stacking Interactions Utilized by a DNA Repair Enzyme

Lesley R. Rutledge, Lachlan S. Campbell-Verduyn, Ken C. Hunter, and Stacey D. Wetmore
pp 19652–19663
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp061939v

Exploring Bovine Pancreatic Trypsin Inhibitor Phase Transitions

Sylvain Grouazel, Françoise Bonneté, Jean-Pierre Astier, Natalie Ferté, Javier Perez, and Stéphane Veesler
pp 19664–19670
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp0627123

Conductance of α-Helical Peptides Trapped within Molecular Junctions

Slawomir Sek, Aleksandra Misicka, Karolina Swiatek, and Elwira Maicka
pp 19671–19677
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp063073z

Glass Transition Temperature of Glucose, Sucrose, and Trehalose:  An Experimental and in Silico Study

Alexandra Simperler, Andreas Kornherr, Reenu Chopra, P. Arnaud Bonnet, William Jones, W. D. Samuel Motherwell, and Gerhard Zifferer
pp 19678–19684
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp063134t

Understanding the Enzymatic Activity of 4-Oxalocrotonate Tautomerase and Its Mutant Analogues:  A Computational Study

Tell Tuttle, Ehud Keinan, and Walter Thiel
pp 19685–19695
Publication Date (Web): September 13, 2006 (Article)
DOI: 10.1021/jp0634858

Understanding Electron Attachment to the DNA Double Helix:  The Thymidine Monophosphate−Adenine Pair in the Gas Phase and Aqueous Solution

Jiande Gu, Yaoming Xie, and Henry F. Schaefer III
pp 19696–19703
Publication Date (Web): September 07, 2006 (Article)
DOI: 10.1021/jp064852i

Hydrogen Bonding Pathways in Human Dihydroorotate Dehydrogenase

Yolanda A. Small, Victor Guallar, Alexander V. Soudackov, and Sharon Hammes-Schiffer
pp 19704–19710
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp065034t

GENERAL PHYSICAL CHEMISTRY

Conjugated Chromophore Near the Quantum-Confined Cadmium Sulfide Cluster:  Quenched Photoluminescence and Enhanced Two-Photon Absorption

Lei Wang, Xu-tang Tao, Jing-hua Shi, Xiao-qiang Yu, and Min-hua Jiang
pp 19711–19716
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp061337b

Formation and Decomposition of Ethane, Propane, and Carbon Dioxide Hydrates in Silica Gel Mesopores under High Pressure

E. Ya. Aladko, Yu. A. Dyadin, V. B. Fenelonov, E. G. Larionov, A. Yu. Manakov, M. S. Mel'gunov, and F. V. Zhurko
pp 19717–19725
Publication Date (Web): September 14, 2006 (Article)
DOI: 10.1021/jp062343a

Spherical Cell Approach for the Effective Viscosity of Suspensions

Emiliy K. ZholkovskiyOlusola B. Adeyinka and Jacob H. Masliyah
pp 19726–19734
Publication Date (Web): September 02, 2006 (Article)
DOI: 10.1021/jp062667z

Phase Diagram and Glass Transition of Confined Benzene

Yongde Xia, Gilberte Dosseh, Denis Morineau, and Christiane Alba-Simionesco
pp 19735–19744
Publication Date (Web): September 12, 2006 (Article)
DOI: 10.1021/jp063393i
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