Journal of Physical Chemistry, 2004, V 108, N 13, April 1.

ARTICLES

DYNAMICS AND RELAXATION 

Picosecond Relaxation of 3MLCT Excited States of [Re(Etpy)(CO)3(dmb)]
+ and [Re(Cl)(CO)3(bpy)] as Revealed by Time-Resolved Resonance
Raman, UV-vis, and IR Absorption Spectroscopy
Davina J. Liard, Michael Busby, Pavel Matousek, 
Michael Towrie, and Antonin Vlek, Jr.
pp 2363 - 2369; 
 
Global Analysis of Kinetic and Stationary Diffusion-Mediated
Fluorescence Quenching Data
Jacek Kos and Andrzej Molski
pp 2370 - 2374; 
 
Competitive Electron Transfer from the S2 and S1 Excited
States of Zinc meso-Tetraphenylporphyrin to a Covalently
Bound Pyromellitimide: Dependence on Donor-Acceptor
Structure and Solvent
Ryan T. Hayes, Christopher J. Walsh, and
Michael R. Wasielewski
pp 2375 - 2381; 
 
Vibrational Relaxation of SO(X3-, v = 1-5) and Nascent
Vibrational Distributions of SO Generated in the
Photolysis of SO2 at 193.3 nm
Katsuyoshi Yamasaki, Fumikazu Taketani, 
Kazuyuki Sugiura, Ikuo Tokue, and Kentaro Tsuchiya
pp 2382 - 2388; 
 
 Vibrational Energy Relaxation of the OH Stretch
 in Liquid Methanol
Tolga S. Gulmen and Edwin L. Sibert, III
pp 2389 - 2401;
 
Nanosecond Dynamics of Single-Molecule
Fluorescence Resonance Energy Transfer
G. O. Ariunbold, G. S. Agarwal, Z. Wang, 
M. O. Scully, and H. Walther
pp 2402 - 2404; 
 
Time-Resolved Surface Temperature Measurement 
of MALDI Matrices under Pulsed UV Laser Irradiation
Antonis Koubenakis, Vladimir Frankevich,
Juan Zhang, and Renato Zenobi
pp 2405 - 2410; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 
Two-Dimensional FT-NIR Correlation Study
of Hydrogen Bonding in the Butan-1-ol/ Water System
Mirosaw A. Czarnecki and Dagmara Wojtkow
pp 2411 - 2417; (
 
Sn2BrxI4-x(g) and Sn2BryI3-y+ (x = 0-4, y = 0-3) Species: 
Mass Spectrometric Evidence and Quantum-Chemical Studies
J. Saloni, S. Roszak, M. Miller, K. Hilpert, and J. Leszczynski
pp 2418 - 2425; 
 
Generation of Neutral CCCCBO in the Gas Phase from
[CCCCBO]- and Rearrangement of Energized CCCCBO
to OCCCCB: A Joint Experimental and Theoretica
l Investigation
Andrew M. McAnoy, Suresh Dua, Detlef Schroder, 
John H. Bowie, and Helmut Schwarz
pp 2426 - 2430; 
 
Matrix Isolation Infrared Spectroscopic and Theoretical
Study of Transition Metal Dioxide-Acetylene Complexes
Mingfei Zhou, Jian Dong, and Lei Miao
pp 2431 - 2435; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
 
Dynamical Response and Firing Patterns in Periodically
Pulsed Bromate-Sulfite-Ferrocyanide System
Oldich Peek, Pavel Kapar, Lenka Schreiberova, 
and Igor Schreiber
pp 2436 - 2442; 
 
A Shock-Tube, Laser-Schlieren Study of the Dissociation
of 1,1,1-Trifluoroethane: An Intrinsic Non-RRKM Process
J. H. Kiefer, C. Katopodis, S. Santhanam,
N. K. Srinivasan, and R. S. Tranter
pp 2443 - 2450;
 
Formation of O(3P) Atoms in the Photolysis of N2O at 193 nm
and O(3P) + N2O Product Channel in the Reaction of O(1D) + N2O
Satoshi Nishida, Kenshi Takahashi, Yutaka Matsumi, 
Nori Taniguchi, and Sachiko Hayashida
pp 2451 - 2456;
 
Oxyhalogen-Sulfur Chemistry: Nonlinear Oxidation Kinetics
of Hydroxymethanesulfinic Acid by Acidic Iodate
Jonathan F. Ojo, Adenike Otoikhian, Rotimi Olojo,
and Reuben H. Simoyi
pp 2457 - 2463;

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Ab Initio Study of the Interaction Hyperpolarizabilitie
s of H-Bond Dimers between Two -Systems
Bing-Qiang Wang, Zhi-Ru Li, Di Wu, Xi-Yun Hao, 
Ru-Jiao Li, and Chia-Chung Sun
pp 2464 - 2468;
 
A Topological Study of the Transition States of the
Hydrogen Exchange and Dehydrogenation 
Reactions of Ethane on a Zeolite Cluster
N. B. Okulik, R. Pis Diez, and A. H. Jubert
pp 2469 - 2474; 
 
Benchmark Results for Hydrogen Atom Transfer 
between Carbon Centers and Validation of Electronic 
Structure Methods for Bond Energies and Barrier Heights
Agnieszka Dybala-Defratyka, Piotr Paneth, 
Jingzhi Pu, and Donald G. Truhlar
pp 2475 - 2486; 
 
Is the Fukui Function a Right Descriptor of 
Hard-Hard Interactions?
Junia Melin, Felipe Aparicio, Venkatesan 
Subramanian, Marcelo Galvan, 
and Pratim K. Chattaraj
pp 2487 - 2491; 
 
Exploring Hydration Patterns of Aldehydes 
and Amides: Ab Initio Investigations
Anant D. Kulkarni, K. Babu, Shridhar R. Gadre,
and Libero J. Bartolotti
pp 2492 - 2498;
 
Application of a Lumped-Inertia Technique to
Vibrational Analysis of the Torsional-Twisting 
Modes of Low Molecular Weight Polyphenylenes 
and Polyethynylphenylenes
Xiange Zheng, Natalie Vedova-Brook, and Karl Sohlberg
pp 2499 - 2507;
 
Theoretical Enthalpies of Formation and O-H Bond
Dissociation Enthalpy of an Ubiquinol Model 
and Its Free Radical
J. Espinosa-Garcia
pp 2508 - 2513;  
 
Theoretical Studies of the Interaction of Water with
Compensatory and Noncompensatory Solutes for Proteins
Robert G. A. R. Maclagan, Cecile Malardier-Jugroot,
Michael. A. Whitehead, and Michael Lever
pp 2514 - 2519;
 
Free Energy Profile of the Reaction between the
Hydroxide Ion and Ethyl Acetate in Aqueous and
Dimethyl Sulfoxide Solutions: A Theoretical Analysis
of the Changes Induced by the Solvent on the
Different Reaction Pathways
Josefredo R. Pliego, Jr. and Jose M. Riveros
pp 2520 - 2526;

CH···F Hydrogen Bonds. Dimers of Fluoromethanes
Eugene Kryachko and Steve Scheiner
pp 2527 - 2535; 
 
Spectroscopic and Density Functional Theory
Studies of 1,10-Phenanthroline, Its Radical Anion,
and [Cu(Phen)(PPh3)2]+
Sarah L. Howell and Keith C. Gordon
pp 2536 - 2544; 
 
Class IV Charge Model for the Self-Consistent
Charge Density-Functional Tight-Binding Method
Jaroslaw A. Kalinowski, Bogdan Lesyng, 
Jason D. Thompson, Christopher J. Cramer, 
and Donald G. Truhlar
pp 2545 - 2549; 
 
Tests of the MP2 Model and Various DFT Models
in Predicting the Structures and B-N Bond Dissociation
Energies of Amine-Boranes
(X3C)mH3-mB-N(CH3)nH3-n (X = H, F; m = 0-3; n = 0-3):
Poor Performance of the B3LYP Approach
for Dative B-N Bonds
Thomas M. Gilbert
pp 2550 - 2554; 
 
Isomer Stability of N24, N30, and N36 Cages:
Cylindrical versus Spherical Structure
Douglas L. Strout
pp 2555 - 2558; 

GENERAL PHYSICAL CHEMISTRY
 
Effect of Pressure on the Proton-Transfer Rate
from a Photoacid to a Solvent. 2. 2-Naphthol-6-sulfonate in Water
Pavel Leiderman, Liat Genosar, Nahum Koifman, 
and Dan Huppert
pp 2559 - 2566;