Journal of Physical Chemistry A, 2003, V 107, N 50, December 18.
ARTICLES
DYNAMICS AND RELAXATION
Ultrafast Vibrational and Thermal Relaxation of Dye Molecules in Solutions
Jian-Yong Liu, Wen-Hui Fan, Ke-Li Han, Wei-Qiao Deng,
Da-Li Xu, and Nan-Quan Lou
pp 10857 - 10861;
Surface Coverage Effects on the Formation of Molecular Hydrogen on a
Graphite Surface via an Eley-Rideal Mechanism
Anthony J. H. M. Meijer, Andrew J. Fisher, and David C. Clary
pp 10862 - 10871;
Dynamics of Molecules near Ionization
Theis I. Slling, Carsten Kotting, and Ahmed H. Zewail
pp 10872 - 10887;
Photodissociation Dynamics of Allyl Alcohol at 193 nm
Tae Yeon Kang, Seung Keun Shin, and Hong Lae Kim
pp 10888 - 10892;
Reactivity of the Ground and Excited Spin-Orbit States
for the Reaction of the F(2P3/2,2P1/2) with D2
Yan Zhang, Ting-Xian Xie, and Ke-Li Han
pp 10893 - 10896;
Femtosecond Photoelectron Imaging on Pyridine:
Ultrafast Electronic Dephasing from the S1(n*)
State and Rydberg State Energetics
Masaaki Tsubouchi and Toshinori Suzuki
pp 10897 - 10903;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Size-Dependent Reaction Cross Section of Protonated Water
Clusters H+(H2O)n (n = 2-11) with D2O
Satoru Yamaguchi, Satoshi Kudoh, Yoshiki Okada,
Takaaki Orii, Kazuo Takeuchi, Takashi Ichikawa,
and Hiromi Nakai
pp 10904 - 10910;
Structural Ambiguities Revisited in Two Bridged Ring Systems
Exhibiting Enantiotopic Elements, Using Natural Abundance
Deuterium NMR in Chiral Liquid Crystals
Christie Aroulanda, Philippe Lesot, Denis Merlet, and Jacques Courtieu
pp 10911 - 10918;
Laboratory Infrared Observation of Linear C7S Carbon-Sulfur Cluster in Solid Argon
Haiyan Wang, Jan Szczepanski, Philip J. Brucat, and Martin T. Vala
pp 10919 - 10925;
Nascent versus "Steady-State" Rovibrational Distributions in the
Products of the O(3P) + O3(1A) Reaction
P. J. S. B. Caridade, J. L. Llanio-Trujillo, and A. J. C. Varandas
pp 10926 - 10932;
High-Field/High-Frequency ESR Study of Gd@C82-I
Ko Furukawa, Shingo Okubo, Haruhito Kato, Hisanori Shinohara,
and Tatsuhisa Kato
pp 10933 - 10937;
Does PRODAN Possess a Planar or Twisted Charge-Transfer
Excited State? Photophysical Properties of Two PRODAN Derivatives
Bethany C. Lobo and Christopher J. Abelt
pp 10938 - 10943;
Photolysis of Matrix Isolated HONO/SO2 System. Identification and
Infrared Spectra of Nitrososulfonic Acid HO(NO)SO2 and
Hydroxysulfonyl HOSO2 Radical
M. Wierzejewska and A. Olbert-Majkut
pp 10944 - 10952;
DFT Studies of the Resonance Raman Spectra of Ground and
Excited Triplet State Free Base meso-Tetraphenylporphyrin (H2TPP)
Roma E. Oakes and Steven E. J. Bell
pp 10953 - 10959;
Rotationally Resolved (1 + 1') Resonance-Enhanced Multiphoton
Ionization (REMPI) of CaR (R = H, D) in Supersonic Beams:
CaR X 2+ (' ' = 0) CaR* B 2+ (' = 0, 1) CaR+ X 1+
Khaled Gasmi, Reem M. Al-Tuwirqi, Stefan Skowronek,
Helmut H. Telle, and Angel Gonzalez Urena
pp 10960 - 10968;
Vibrational Analysis of Vacuum Ultraviolet Mass-Analyzed
Threshold Ionization Spectra of Phenylacetylene and Benzonitrile
Chan Ho Kwon, Hong Lae Kim, and Myung Soo Kim
pp 10969 - 10975;
Dissociation of SO42-(H2O)n Clusters, n = 3-17
Richard L. Wong and Evan R. Williams
pp 10976 - 10983;
Discrimination of Rotational Isomers of 2-Phenylethanol by
Dispersed Fluorescence Spectroscopy
Sujit S. Panja and Tapas Chakraborty
pp 10984 - 10987;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Measurements of High-Temperature Silane Pyrolysis Using
SiH4 IR Emission and SiH2 Laser Absorption
Eric L. Petersen and Mark W. Crofton
pp 10988 - 10995;
High Temperature Reaction of S + SO2 SO + SO: Implication
of S2O2 Intermediate Complex Formation
Yoshinori Murakami, Shouichi Onishi, Takaomi Kobayashi,
Nobuyuki Fujii, Nobuyasu Isshiki, Kentaro Tsuchiya,
Atsumu Tezaki, and Hiroyuki Matsui
pp 10996 - 11000;
Identification of the CH + O2 OH(A) + CO Reaction as
the Source of OH(A-X) Chemiluminescence in C2H2/O/H/O2
Atomic Flames and Determination of Its Absolute
Rate Constant over the Range T = 296 to 511 K
S. A. Carl, M. Van Poppel, and J. Peeters
pp 11001 - 11007;
Meandering Spiral Waves in the 1,4-Cyclohexanedione
Belousov-Zhabotinsky System Catalyzed by Fe[batho(SO3)2]34-/3-
Niklas Manz, Brent T. Ginn, and Oliver Steinbock
pp 11008 - 11012;
Experimental Study of NO Reaction with Isoprene
Hydroxyalkyl Peroxy Radicals
Dan Zhang, Renyi Zhang, and Simon W. North
pp 11013 - 11019;
Experiments and Calculations on Rate Coefficients for Pyrolysis
of SO2 and the Reaction O + SO at High Temperatures
Chih-Wei Lu, Yu-Jong Wu, Yuan-Pern Lee, R. S. Zhu, and M. C. Lin
pp 11020 - 11029;
Adsorption of Gas-Phase Nitric Acid to n-Hexane
Soot: Thermodynamics and Mechanism
Daniel G. Aubin and Jonathan P. Abbatt
pp 11030 - 11037;
Direct Observation of the Kinetics of an Atmospherically
Important Reaction at the Air-Aqueous Interface
Baagi T. Mmereki and D. J. Donaldson
pp 11038 - 11042;
ion of Hydrogen from Methanol by Hydroxyl Radical in
Subcritical and Supercritical Water
Junbo Feng, Sudhir N. V. K. Aki, John E. Chateauneuf,
and Joan F. Brennecke
pp 11043 - 11048;
Investigation of the Prototype Silylene Reaction,
SiH2 + H2O (and D2O): Time-Resolved Gas-Phase
Kinetic Studies, Isotope Effects, RRKM Calculations,
and Quantum Chemical Calculations of the Reaction Energy Surface
Rosa Becerra, J. Pat Cannady, and Robin Walsh
pp 11049 - 11056;
Master Equation Models for the Pressure- and
Temperature-Dependent Reactions HO + NO2
HONO2 and HO + NO2 HOONO
David M. Golden, John R. Barker, and Lawrence L. Lohr
pp 11057 - 11071;
Formation of Hydrogen Peroxide in Photocatalytic Reactions
Fumihide Shiraishi, Tsugunori Nakasako, and Zhaozhe Hua
pp 11072 - 11081;
Isodesmic Reactions for Transition States: Reactions of
Cl Atoms with Methane and Halogenated Methanes
Vadim D. Knyazev
pp 11082 - 11091;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Theoretical Analysis on the Fundamental and Overtone OH
Stretching Spectra of Several Simple Acids and Alcohols
Kaito Takahashi, Michihiko Sugawara, and Satoshi Yabushita
pp 11092 - 11101;
Unusual Magnetic Behavior of Six-Coordinate, Mixed-Ligand
Re(II) Complexes: Origin of a Strong Temperature-Independent
Paramagnetism
Kim R. Dunbar, Eric J. Schelter, Andrei V. Palii,
Sergei M. Ostrovsky, Vadim Yu. Mirovitskii, Joshua M. Hudson,
Mohammad A. Omary, Sophia I. Klokishner, and Boris S. Tsukerblat
pp 11102 - 11111;
The Heterolytic Dissociation of Neutral and Protonated Nitrous Acid
Hong Wu and Rainer Glaser
pp 11112 - 11119;
Similarity and Chirality: Quantum Chemical Study of
Dissimilarity of Enantiomers
Greet Boon, Christian Van Alsenoy, Frank De Proft,
Patrick Bultinck, and Paul Geerlings
pp 11120 - 11127;
18-Crown-6 and Its Hydrates: Bridging but Versatile Hydrogen
Bonding. A Theoretical Study of Static and Dynamic Properties
R. Schurhammer, P. Vayssiere, and G. Wipff
pp 11128 - 11138;
Can Diarylethene Photochromism Be Explained by a Reaction
Path Alone? A CASSCF Study with Model MMVB Dynamics
Martial Boggio-Pasqua, Marcella Ravaglia, Michael J. Bearpark,
Marco Garavelli, and Michael A. Robb
pp 11139 - 11152;
Bond Strengths in ChCl3- and ChOCl3- (Ch = S, Se, Te):
Experiment and Theory
Kim C. Lobring, Changtong Hao, Jordan K. Forbes,
Michael R. J. Ivanov, Steven M. Bachrach, and Lee S. Sunderlin
pp 11153 - 11160;
Theoretical and Electrochemical Study of the Quinone-Benzoic
Acid Adduct Linked by Hydrogen Bonds
Jorge Garza, Rubicelia Vargas, Martin Gomez,
Ignacio Gonzalez, and Felipe J. Gonzalez
pp 11161 - 11168;
Ab Initio Study on Phenylacetylene in S1 and S2
Yoshiaki Amatatsu and Yasunori Hasebe
pp 11169 - 11173;
Ab Initio Study of the Deamination of Formamidine
Christopher Flinn, Raymond A. Poirier,
and W. Andrzej Sokalski
pp 11174 - 11181;
Phototriggered Linkage Isomerization in
Ruthenium-Dimethylsulfoxyde
Complexes: Insights from Theory
Ilaria Ciofini, Claude A. Daul, and Carlo Adamo
pp 11182 - 11190;
Ab Initio Study of Aromatic Side Chains of Amino
Acids in Gas Phase and Solution
David M. Rogers and Jonathan D. Hirst
pp 11191 - 11200;
Influence of Crystal Effects on Molecular Charge
Densities in a Study of 9-Ethynyl-9-fluorenol
Jacob Overgaard, Mark P. Waller, and David E. Hibbs
pp 11201 - 11208;
Isomerization and Dissociation of CHNS:
Quantum Mechanical Study
Maria Wierzejewska and Jerzy Moc
pp 11209 - 11216;
Density Functional Theory Study of the Electronic State,
Geometry, and Harmonic Frequencies for Linear
CnP2 Clusters: A Comparison with CnN2
K. Chuchev and J. J. BelBruno
pp 11217 - 11222;
Comprehensive Model for the Electronic Structures of
1,2,4-Cyclohexatriene and Related Compounds
Patrick W. Musch, Daniel Scheidel, and Bernd Engels
pp 11223 - 11230;
GENERAL PHYSICAL CHEMISTRY
Effect of the Nitrogen Heteroatom on the Excited
State Properties of 1,4-Distyrylbenzene
E. Marri, D. Pannacci, G. Galiazzo, U. Mazzucato, and A. Spalletti
pp 11231 - 11238;
An FT-IR Study of Crown Ether-Water Complexation
in Supercritical CO2
Anne Rustenholtz, John L. Fulton, and Chien M. Wai
pp 11239 - 11244;
IR Vaporization Mass Spectrometry of Aerosol Particles
with Ionic Solutions: The Problem of Ion-Ion Recombination
Yury Dessiaterik, Theresa Nguyen, Tomas Baer, and Roger E. Miller
pp 11245 - 11252;
The Free Energy of Nanobubbles in Organic Liquids
Siegfried Hofinger and Francesco Zerbetto
pp 11253 - 11257;
COMMENTS
Comment on "Effects of Metal Ions Distinguishing between
One-Step Hydrogen- and Electron-Transfer Mechanisms
for the Radical-Scavenging Reaction of (+)-Catechin"5
Hong-Yu Zhang and Lan-Fen Wang
pp 11258 - 11259;
ADDITIONS AND CORRECTIONS
Four-Electron Three-Center Bonding: One-Electron and Concerted
Two-Electron Delocalizations into Bonding and
Antibonding Molecular Orbitals
Richard D. Harcourt
pp 11260 - 11260;