Journal of Physical Chemistry A, 2004, V. 108, N. 1, January 8.
ARTICLES
DYNAMICS AND RELAXATION
Surface-Induced Dissociation of Polyatomic Hydrocarbon
Projectile Ions with Different Initial Internal Energy Content
A. Qayyum,, Z. Herman, T. Tepnual, C. Mair,
S. Matt-Leubner, P. Scheier, and T. D. Mark
pp 1 - 8;
Photodissociation of Sulfur Dioxide: The State Revisited
K. L. Knappenberger, Jr. and A. W. Castleman, Jr.
pp 9 - 14;
Multipoint Fluorescence Quenching-Time Statistics for Single
Molecules with Anomalous Diffusion
Valeri Barsegov and Shaul Mukamel
pp 15 - 24;
Ultrafast Studies on the Photophysics of Matrix-Isolated
Radical Cations of Polycyclic Aromatic Hydrocarbons
Liang Zhao, Rui Lian, Ilya A. Shkrob, Robert A. Crowell,
Stanislas Pommeret, Eric L. Chronister, An Dong Liu,
and Alexander D. Trifunac
pp 25 - 31;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Optical Activity of 1-Butene, Butane, and Related Hydrocarbons
Kenneth B. Wiberg, Yi-gui Wang, Patrick H. Vaccaro,
James R. Cheeseman, Gary Trucks, and Michael J. Frisch
pp 32 - 38;
Sorption of Nitrogen Bases and XPS Study of
Mesoporous Solid Acid SBA-15
Jeremy L. Smith, Richard G. Herman,
Courtney R. Terenna, Matthew R. Galler, and Kamil Klier
pp 39 - 46;
Microwave Spectrum and Molecular Structure of Etheneselenol
Denis Petitprez, Jean Demaison, Georges Wlodarczak,
El Hassan Riague, and Jean-Claude Guillemin
pp 47 - 52; (
Multiphoton Intrapulse Interference 3: Probing
Microscopic Chemical Environments
Johanna M. Dela Cruz, Igor Pastirk, Vadim V. Lozovoy,
Katherine A. Walowicz, and Marcos Dantus
pp 53 - 58;
Molecular Association in Binary Mixtures of tert-Butyl
Alcohol-Water and Tetrahydrofuran-Heavy Water
Studied by Mass Spectrometry of Clusters from Liquid Droplets
Toshiko Fukasawa, Yasunori Tominaga,
and Akihiro Wakisaka
pp 59 - 63;
The Vibrational Spectrum of the Neutral (H2O)6
Precursor to the "Magic" (H2O)6- Cluster Anion by
Argon-Mediated, Population-Modulated
Electron Attachment Spectroscopy
Eric G. Diken, William H. Robertson,
and Mark A. Johnson
pp 64 - 68;
Alanyl Side Chain Folding in Phenylalanine:
Conformational Assignments through Ultraviolet
Rotational Band Contour Analysis
Yonghoon Lee, Jiwon Jung, Bongsoo Kim,
Patrick Butz, Lavina C. Snoek, Romano T. Kroemer,
and John P. Simons
pp 69 - 73;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Kinetics of the CCO + NO and CCO + NO2 Reactions
W. David Thweatt, Mark A. Erickson, and John F. Hershberger
pp 74 - 79;
Measurements of the Rate Constant of HO2 + NO2 + N2 HO2NO2 + N2
Using Near-Infrared Wavelength-Modulation Spectroscopy and
UV-Visible Absorption Spectroscopy
Lance E. Christensen, Mitchio Okumura, Stanley P. Sander,
Randall R. Friedl, Charles E. Miller, and James J. Sloan
pp 80 - 91;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Structure, Conformation, and Electronic Properties of Apigenin,
Luteolin, and Taxifolin Antioxidants. A First Principle Theoretical Study
Monica Leopoldini, Immaculada Prieto Pitarch,
Nino Russo, and Marirosa Toscano
pp 92 - 96;
Theoretical Study of 1,3,4,6,7,9,9b-Heptaazaphenalene
and Its Ten Derivatives
Wenxu Zheng, Ning-Bew Wong, Weizhou Wang,
Ge Zhou, and Anmin Tian
pp 97 - 106;
HM-IE: Quantum Chemical Hybrid Methods for
Calculating Interaction Energies
Jeffery B. Klauda, Stephen L. Garrison, Jianwen Jiang,
Gaurav Arora, and Stanley I. Sandler
pp 107 - 112;
Modeling Small Aluminum Chlorohydrate Polymers
Vojislava Pophristic, Michael L. Klein,
and Marian N. Holerca
pp 113 - 120;
Hydrogen Delocalization in Cyclic Water Clusters
Margaret Mandziuk
pp 121 - 126;
The Scaling Ionic Partitioning Scheme for Estimating
Electron Correlation Energy of A2-like and
AX-Type Molecules
Shuping Zhuo, Jichong Wei, and Guanzhi Ju
pp 127 - 132;
Theoretical Study of Magnesium Compounds: The Schlenk
Equilibrium in the Gas Phase and in the Presence
of Et2O and THF Molecules
Jaana Tammiku-Taul, Peeter Burk, and Ants Tuulmets
pp 133 - 139;
Quasiclassical Trajectory Calculations for the Reactions
F + HCl, F + HBr, and F + HI
Haya Kornweitz and Avigdor Persky
pp 140 - 145;
Ab Initio Calculations of the Structures and Vibrational
Spectra of Ethene Complexes
Bruce D. Alexander and Trevor J. Dines
pp 146 - 156;
Ab Initio Benchmark Study of (2-Pyridone)2, a Strongly
Bound Doubly Hydrogen-Bonded Dimer
Andreas Muller, Martin Losada, and Samuel Leutwyler
pp 157 - 165;
Ionization of Organic Acids in Dimethyl Sulfoxide Solution:
A Theoretical Ab Initio Calculation of the pKa Using a
New Parametrization of the Polarizable Continuum Model
Gizelle I. Almerindo, Daniel W. Tondo, and
Josefredo R. Pliego Jr.
pp 166 - 171;
Quantum Chemical Determination of the Equilibrium
Geometries and Harmonic Vibrational Frequencies
of 1,1'-, 1,2'- and 2,2'-Binaphthyl in Their Ground
and Excited (1La) Electronic States
Fangtong Zhang, George B. Bacskay, and Scott H. Kable
pp 172 - 184;
Conformational Analysis with Both Experimental and
Computational Data for Both Gaseous and Crystalline
Phases: Unexpected Interactions in N-Methyldichloroacetamide
Sarah L. Hinchley, Heather E. Robertson, Lorna J. McLachlan,
Carole A. Morrison, David W. H. Rankin,
Stephen J. Simpson, and Emrys W. Thomas
pp 185 - 193;
Aromatic vs Diradical Character in the Transition States
of the Cope Rearrangements of 1,5-Hexadiene and
Its Cyano Derivatives
Joshua J. Blavins, David L. Cooper, and Peter B. Karadakov
pp 194 - 202;
Stabilization of Zwitterions in Solution: -Aminobutyric Acid (GABA)
Deborah L. Crittenden, Mary Chebib, and Meredith J. T. Jordan
pp 203 - 211;
Structure and Stability of Small NaCn, NaCn+, and NaCn- Clusters:
A Theoretical Study
Pilar Redondo, Carmen Barrientos, Alvaro Cimas,
and Antonio Largo
pp 212 - 224;
GENERAL PHYSICAL CHEMISTRY
LiClO4 Electrolyte Solvate Structures
Wesley A. Henderson, Neil R. Brooks,
William W. Brennessel, and Victor G. Young, Jr.
pp 225 - 229;
Dimerization of Electrochemically Generated
Radical Ions under High Pressure
Vladimir Mazine and Jurgen Heinze
pp 230 - 235;
ADDITIONS AND CORRECTIONS
Raman Spectroscopy of the Reaction of Sodium Chloride
with Nitric Acid: Sodium Nitrate Growth and Effect of Water Exposure.
Christopher D. Zangmeister and Jeanne E. Pemberton:
pp 236 - 236;
On the Stability of N5+N5-
Stefan Fau, Kenneth J. Wilson, and Rodney J. Bartlett:
pp 236 - 236;