Table of Contents

December 13, 2007
Volume 111, Issue 49
Pages 12163-12858

About the Cover: A molecular beam machine (Princeton 1987-2002) with the names of G. Scoles' students and, at the top, a sentence due to R. E. Smalley. An artist view of the molecular beam apparatus called CLOUD II with which Kevin Lehmann, Giacinto Scoles, and their collaborators at Princeton did many IVR, van der Waals oligomer IR photodissociation, and He nanodroplet spectroscopy experiments in the period 1987-2002. The figure is based on a slide prepared by Carlo Callegari when he was a student at Princeton. The names appearing on top of the apparatus are those of all the graduate students who have ever worked in Scoles' laboratory and have been coauthors of at least a paper with him. The sentence at the top was pronounced by R. E. Smalley in a conversation he had with Scoles in Washington, D.C., when they were attending a meeting. In an interview that Robert Curl gave to C&E News in January 1997, he reported a bolder opinion in the same direction of Smalley who, paraphrasing a famous quote by Bill Clinton, is reported to have said, "It is the machine, stupid!" The artwork is due to Paolo Marani of Trieste.

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For Selected Content:

It's All a Matter of Intermolecular ForcesA Tribute to Giacinto Scoles

pp 12163–12165
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp710225c

Autobiography of Giacinto Scoles

pp 12166–12169
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp710058g

Collaborators of Giacinto Scoles

p 12170
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp7100573

Students of Giacinto Scoles

p 12171
Publication Date (Web): December 6, 2007 (Editorial)
DOI: 10.1021/jp710056a
Sponsored Access Sponsored Access

Publications of Giacinto Scoles

pp 12172–12180
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp710221s

ARTICLES

Connecting Structure to Infrared Spectra of Molecular and Autodissociated HCl−Water Aggregates

pp 12181–12191
Publication Date (Web): October 4, 2007 (Article)
DOI: 10.1021/jp0740494

Observation of Rovibrational Transitions of HCl, (HCl)2, and H2O−HCl in Liquid Helium Nanodroplets

pp 12192–12199
Publication Date (Web): November 7, 2007 (Article)
DOI: 10.1021/jp0759980

Electronic Spectroscopy of Nonalternant Hydrocarbons Inside Helium Nanodroplets

pp 12200–12209
Publication Date (Web): September 20, 2007 (Article)
DOI: 10.1021/jp071175z

Millisecond Kinetics of Nanocrystal Cation Exchange Using Microfluidic X-ray Absorption Spectroscopy

pp 12210–12215
Publication Date (Web): September 21, 2007 (Article)
DOI: 10.1021/jp073474u

Angular Distributions for Vibrationally Inelastic Nonresonant Scattering of Electrons by Molecules

pp 12216–12228
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp073981b

Gold Nanoparticles Decorated with Oligo(ethylene glycol) Thiols:  Protein Resistance and Colloidal Stability

pp 12229–12237
Publication Date (Web): October 3, 2007 (Article)
DOI: 10.1021/jp074293v

Higher Energy States in the CO Dimer:  Millimeter-Wave Spectra and Rovibrational Calculations

pp 12238–12247
Publication Date (Web): September 8, 2007 (Article)
DOI: 10.1021/jp0743471

Excess Electron in Water at Different Thermodynamic Conditions

pp 12248–12256
Publication Date (Web): September 21, 2007 (Article)
DOI: 10.1021/jp074356+

Self-Directed Growth of Contiguous Perpendicular Molecular Lines on H−Si(100) Surfaces

pp 12257–12259
Publication Date (Web): September 15, 2007 (Article)
DOI: 10.1021/jp074389p

Infrared Spectra and Theoretical Calculations of KH and (KH)2 in Solid Hydrogen

pp 12260–12265
Publication Date (Web): October 25, 2007 (Article)
DOI: 10.1021/jp0745889

Studies of Chemisorbed Tetracene on Si(111)-7×7

pp 12266–12274
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp074627g

Rotational Structure of Small 4He Clusters Seeded with HF, HCl, and HBr Molecules

pp 12275–12288
Publication Date (Web): October 11, 2007 (Article)
DOI: 10.1021/jp0746143

Microsolvation of Cationic Dimers in 4He Droplets:  Geometries of (He)N (A = Li, Na, K) from Optimized Energies

pp 12289–12294
Publication Date (Web): August 30, 2007 (Article)
DOI: 10.1021/jp0748361

A Case Study on Biological Activity in a Surface-Bound Multicomponent System:  The Biotin−Streptavidin−Peroxidase System

pp 12295–12303
Publication Date (Web): October 12, 2007 (Article)
DOI: 10.1021/jp074847u

Infrared Spectroscopy of Prereactive Aluminum−, Gallium−, and Indium−HCN Entrance Channel Complexes Solvated in Helium Nanodroplets

pp 12304–12316
Publication Date (Web): September 18, 2007 (Article)
DOI: 10.1021/jp074981e

A Computational Study of the Adsorption of Small Ag and Au Nanoclusters on Graphite

pp 12317–12326
Publication Date (Web): November 1, 2007 (Article)
DOI: 10.1021/jp074969m

Large-Scale Motions and Electrostatic Properties of Furin and HIV-1 Protease

pp 12327–12332
Publication Date (Web): November 15, 2007 (Article)
DOI: 10.1021/jp0751716

Organophosphonate Self-Assembled Monolayers for Gate Dielectric Surface Modification of Pentacene-Based Organic Thin-Film Transistors:  A Comparative Study

pp 12333–12338
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp075177v

Effect of Formation Temperature and Roughness on Surface Potential of Octadecyltrichlorosilane Self-Assembled Monolayer on Silicon Surfaces

pp 12339–12343
Publication Date (Web): November 10, 2007 (Article)
DOI: 10.1021/jp075392b

Configuration and Internal Dynamics of CH2ClF···Krypton

pp 12344–12348
Publication Date (Web): October 20, 2007 (Article)
DOI: 10.1021/jp075552j

Atomistic Simulation of the DNA Helix−Coil Transition

pp 12349–12354
Publication Date (Web): November 9, 2007 (Article)
DOI: 10.1021/jp0756552

Infrared Spectroscopy of Small Sodium-Doped Water Clusters:  Interaction with the Solvated Electron

pp 12355–12362
Publication Date (Web): November 15, 2007 (Article)
DOI: 10.1021/jp075717o

Isotopomeric Conformational Changes in the Anisole−Water Complex:  New Insights from HR-UV Spectroscopy and Theoretical Studies

pp 12363–12371
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp0757558

Specific Binding of Different Vesicle Populations by the Hybridization of Membrane-Anchored DNA

pp 12372–12380
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp075792z

Influence of End Group and Surface Structure on the Current−Voltage Characteristics of Alkanethiol Monolayers on Au(111)

pp 12381–12385
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp075875f

Optical Spectroscopy of Potassium-Doped Argon Clusters. Experiments and Quantum-Chemistry Calculations

pp 12386–12397
Publication Date (Web): November 9, 2007 (Article)
DOI: 10.1021/jp075951e

O Atom Induced Gradual Deconstruction of the 23 × √3 Au(111) Surface

pp 12398–12401
Publication Date (Web): November 9, 2007 (Article)
DOI: 10.1021/jp0759729

Tandem Repeating Modular Proteins Avoid Aggregation in Single Molecule Force Spectroscopy Experiments

pp 12402–12408
Publication Date (Web): November 20, 2007 (Article)
DOI: 10.1021/jp076095+

Modeling Competitive Interactions in Proteins:  Vibrational Spectroscopy of M+(n-methylacetamide)1(H2O)n=0-3, M = Na and K, in the 3 μm Region

pp 12409–12416
Publication Date (Web): August 16, 2007 (Article)
DOI: 10.1021/jp073521i

Determining the Partial Photoionization Cross-Sections of Ethyl Radicals

pp 12417–12422
Publication Date (Web): August 31, 2007 (Article)
DOI: 10.1021/jp073828h

Density Dependent Friction of Lipid Monolayers

pp 12423–12426
Publication Date (Web): July 26, 2007 (Article)
DOI: 10.1021/jp074073h

Low-Energy Electron-Induced Processes in Fluorinated Copper Phthalocyanine Films Observed by F- Desorption:  Why So Little Damage?

pp 12427–12433
Publication Date (Web): November 7, 2007 (Article)
DOI: 10.1021/jp074269h

Density Functional Theory Analysis of Molybdenum Isotope Fractionation

pp 12434–12438
Publication Date (Web): August 23, 2007 (Article)
DOI: 10.1021/jp074318q

Interaction Thresholds for Adsorption of Quantum Gases on Surfaces and within Pores of Various Shapes

pp 12439–12446
Publication Date (Web): September 26, 2007 (Article)
DOI: 10.1021/jp074354p

Partition Theory:  A Very Simple Illustration

pp 12447–12453
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp0743370

Electronic States of a Single Layer of Pentacene:  Standing-Up and Flat-Lying Configurations

pp 12454–12457
Publication Date (Web): November 8, 2007 (Article)
DOI: 10.1021/jp074365i

Advanced Correlation Functionals:  Application to Bulk Materials and Localized Systems

pp 12458–12465
Publication Date (Web): October 12, 2007 (Article)
DOI: 10.1021/jp0746998

Vibrational Spectroscopy and Dynamics in the CH-Stretch Region of Fluorene by IVR-Assisted, Ionization-Gain Stimulated Raman Spectroscopy

pp 12466–12470
Publication Date (Web): October 9, 2007 (Article)
DOI: 10.1021/jp075053i

Static Dipole Polarizability of Ytterbium

pp 12471–12476
Publication Date (Web): October 4, 2007 (Article)
DOI: 10.1021/jp0750856

Fragmentation Dynamics of Size-Selected Pyrrole Clusters Prepared by Electron Impact Ionization:  Forming a Solvated Dimer Ion Core

pp 12477–12486
Publication Date (Web): October 11, 2007 (Article)
DOI: 10.1021/jp0751561

Electron−Atom Superelastic Scattering in Magnesium at Millielectron Volt Energies

pp 12487–12494
Publication Date (Web): November 7, 2007 (Article)
DOI: 10.1021/jp075583e

Ground State Potential Energy Curve and Dissociation Energy of MgH

pp 12495–12505
Publication Date (Web): November 20, 2007 (Article)
DOI: 10.1021/jp075704a

Incorporation of Inhomogeneous Ion Diffusion Coefficients into Kinetic Lattice Grand Canonical Monte Carlo Simulations and Application to Ion Current Calculations in a Simple Model Ion Channel

pp 12506–12512
Publication Date (Web): October 26, 2007 (Article)
DOI: 10.1021/jp075838o

New Insights into the Reaction Mechanisms of Phenylium Ions with Benzene

pp 12513–12523
Publication Date (Web): November 2, 2007 (Article)
DOI: 10.1021/jp075860h

Temperature-Dependent Femtosecond Photoinduced Desorption in CO/Pd(111)

pp 12524–12533
Publication Date (Web): November 2, 2007 (Article)
DOI: 10.1021/jp075923w

Contrasting Singlet−Triplet Dynamical Behavior of Two Vibrational Levels of the Acetylene S1 2131B2 Polyad

pp 12534–12537
Publication Date (Web): October 6, 2007 (Article)
DOI: 10.1021/jp0760399

On the Role of Scattering Resonances in the F + HD Reaction Dynamics

pp 12538–12549
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp0759473

Polymorphism and Phase Control in Titanyl Phthalocyanine Thin Films Grown by Supersonic Molecular Beam Deposition

pp 12550–12558
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp075939m

Monosolvation of R-1-Phenyl-2,2,2-trifluoroethanol with Amines:  Configurational Effects on the Excitation, Ionization, and Fragmentation of Diastereomeric Complexes

pp 12559–12563
Publication Date (Web): November 6, 2007 (Article)
DOI: 10.1021/jp075945i

An Optimized Algebraic Basis for Molecular Potentials

pp 12564–12569
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp075961f

Structure, Vibrations and Raman Modes in Electron Doped Metal Phthalocyanines

pp 12570–12576
Publication Date (Web): November 15, 2007 (Article)
DOI: 10.1021/jp075944q

Concentration−Temperature Dependencies of Structural Relaxation Time in Trehalose−Water Solutions by Brillouin Inelastic UV Scattering

pp 12577–12583
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp075982+

Dynamics of Water Confined on a TiO2 (Anatase) Surface

pp 12584–12588
Publication Date (Web): November 9, 2007 (Article)
DOI: 10.1021/jp076033j

Hydrogen and Coordination Bonding Supramolecular Structures of Trimesic Acid on Cu(110)

pp 12589–12603
Publication Date (Web): November 10, 2007 (Article)
DOI: 10.1021/jp076037o

Quantum Study of Peroxidic Bonds and Torsional Levels for ROOR‘ Molecules (R, R‘ = H, F, Cl, NO, CN)

pp 12604–12610
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp076017m

Analysis of Molecular Hydrogen Formation on Low-Temperature Surfaces in Temperature Programmed Desorption Experiments

pp 12611–12619
Publication Date (Web): November 8, 2007 (Article)
DOI: 10.1021/jp0760657

Direct Images of the Virtual Source in a Supersonic Expansion

pp 12620–12628
Publication Date (Web): November 7, 2007 (Article)
DOI: 10.1021/jp076102u

In Situ Photolysis of CD3I in Solid Orthodeuterium

pp 12629–12634
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp0761113

Kinetic and Mechanistic Studies of the Electrocatalytic Reduction of O2 to H2O with Mononuclear Cu Complexes of Substituted 1,10-Phenanthrolines

pp 12641–12650
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp076106z

Method for Efficient Computation of the Density of States in Water-Explicit Biopolymer Simulations on a Lattice

pp 12651–12658
Publication Date (Web): November 9, 2007 (Article)
DOI: 10.1021/jp0761970

High-Resolution Continuous-Wave-Diode Laser Cavity Ring-Down Spectroscopy of the Hydrogen Fluoride Dimer in a Pulsed Slit Jet Expansion:  Two Components of the N = 2 Triad near 1.3 μm

pp 12659–12668
Publication Date (Web): November 20, 2007 (Article)
DOI: 10.1021/jp076894s

Dispersion of Single-Walled Carbon Nanotubes with an Extended Diazapentacene Derivative

pp 12669–12673
Publication Date (Web): November 15, 2007 (Article)
DOI: 10.1021/jp0765648

Molecular Assembly of Rubrene on a Metal/Metal Oxide Nanotemplate

pp 12674–12678
Publication Date (Web): November 6, 2007 (Article)
DOI: 10.1021/jp076090c

State-Resolved Reactivity of CH4(2ν3) on Pt(111) and Ni(111):  Effects of Barrier Height and Transition State Location

pp 12679–12683
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp076082w

Unraveling the Absorption Spectra of Alkali Metal Atoms Attached to Helium Nanodroplets

pp 12684–12694
Publication Date (Web): November 13, 2007 (Article)
DOI: 10.1021/jp0760760

Squeezing a Helium Nanodroplet with a Rydberg Electron

pp 12695–12701
Publication Date (Web): November 6, 2007 (Article)
DOI: 10.1021/jp076069b

Double-Trap Kinetic Equation for the Oxygen Reduction Reaction on Pt(111) in Acidic Media

pp 12702–12710
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp076104e

Study of HCl Clusters in Helium Nanodroplets:  Experiments and ab Initio Calculations as Stepping Stones from Gas Phase to Bulk

pp 12711–12716
Publication Date (Web): November 16, 2007 (Article)
DOI: 10.1021/jp076123o

2-D Islanding of Dodecane on an Au(111) Surface:  An Investigation Using He Beam Reflectivity and Monte Carlo Modeling

pp 12717–12720
Publication Date (Web): November 17, 2007 (Article)
DOI: 10.1021/jp076122w

Deciphering Structural Domains of Alkanethiol Self-Assembled Configurations by Friction Force Microscopy

pp 12721–12726
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp076127t

Structural Characterization of Aldehyde-Terminated Self-Assembled Monolayers

pp 12727–12739
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp076124g

Structure and Energetics of Diphenylalanine Self-Assembling on Cu(110)

pp 12740–12748
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp076205c

Unraveling Excited States of Doped Helium Clusters

pp 12749–12753
Publication Date (Web): November 9, 2007 (Article)
DOI: 10.1021/jp076193v

The Hydrogen Peroxide−Rare Gas Systems:  Quantum Chemical Calculations and Hyperspherical Harmonic Representation of the Potential Energy Surface for Atom−Floppy Molecule Interactions

pp 12754–12762
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp076268v

Hydrogen Molecule in the Small Dodecahedral Cage of a Clathrate Hydrate:  Quantum Translation−Rotation Dynamics at Higher Excitation Energies

pp 12763–12771
Publication Date (Web): November 1, 2007 (Article)
DOI: 10.1021/jp076296d

Dielectrophoretic Trapping of Single Bacteria at Carbon Nanofiber Nanoelectrode Arrays

pp 12772–12777
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp076346e

Adsorption of Benzene on Coinage Metals:  A Theoretical Analysis Using Wavefunction-Based Methods

pp 12778–12784
Publication Date (Web): November 14, 2007 (Article)
DOI: 10.1021/jp076339q

Inelastic Scattering Dynamics of Ar from a Perfluorinated Self-Assembled Monolayer Surface

pp 12785–12794
Publication Date (Web): November 7, 2007 (Article)
DOI: 10.1021/jp076431m

Dissociative Photodetachment Studies of I2-·Ar:  Coincident Imaging of Two- and Three-Body Product Channels

pp 12795–12801
Publication Date (Web): November 21, 2007 (Article)
DOI: 10.1021/jp0765401

On the Role of Methyl Torsional Modes in the Intersystem Crossing Dynamics of Isolated Molecules

pp 12802–12809
Publication Date (Web): November 1, 2007 (Article)
DOI: 10.1021/jp076568c

Finite-Temperature Effects on the Stability and Infrared Spectra of HCl(H2O)6 Clusters

pp 12810–12815
Publication Date (Web): November 6, 2007 (Article)
DOI: 10.1021/jp0765603

Negative Thermal Expansion in Single-Component Systems with Isotropic Interactions

pp 12816–12821
Publication Date (Web): November 8, 2007 (Article)
DOI: 10.1021/jp076859l

Interactions in Diatomic Dimers Involving Closed-Shell Metals

pp 12822–12838
Publication Date (Web): November 20, 2007 (Article)
DOI: 10.1021/jp076412c

Rovibrational Energy Transfer in the 4νCH Manifold of Acetylene, Viewed by IR−UV Double Resonance Spectroscopy. 5. Detailed Kinetic Model

pp 12839–12853
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp0767617

High-Resolution Mapping of the Electrostatic Potential in Organic Thin-Film Transistors by Phase Electrostatic Force Microscopy

pp 12854–12858
Publication Date (Web): December 6, 2007 (Article)
DOI: 10.1021/jp709590p
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