Journal of Physical Chemistry, 2004, V 108, N 23, 10 June.

LETTERS
   
 Ab Initio Diffusion Monte Carlo Calculations of the
 Quantum Behavior of CH5+ in Full Dimensionality
Anne B. McCoy, Bastiaan J. Braams, Alex Brown, 
Xinchuan Huang, Zhong Jin, and Joel M. Bowman
pp 4991 - 4994; 
 
An Accurate Theoretical Prediction of the Zero 
Point Vibrational Energy of CH5+
Alexey L. Kaledin, Sharif D. Kunikeev, 
and Howard S. Taylor
pp 4995 - 4997; 

ARTICLES
  
DYNAMICS AND RELAXATION 
 
Interligand Electron Transfer Dynamics in [Os(bpy)3]2+:
Exploring the Excited State Potential Surfaces with
Femtosecond Spectroscopy
George B. Shaw, David J. Styers-Barnett, 
Erika Z. Gannon, Jeremy C. Granger, and
John M. Papanikolas
pp 4998 - 5006; 
 
Dielectric Relaxation Processes in 
Ethanol/Water Mixtures
Takaaki Sato and Richard Buchner
pp 5007 - 5015; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Spin-Orbit Effects in the Ground States of Singly Positive 
and Neutral V2, VNb, and Nb2: INDO/S and 
Empirical Model Calculations
Ted A O'Brien
pp 5016 - 5025; 
 
Spin-Orbit Effects on Hyperfine Coupling Tensors 
in Transition Metal Complexes Using Hybrid 
Density Functionals and Accurate Spin-Orbit Operators
Christian Remenyi, Roman Reviakine,
Alexei V. Arbuznikov, Juha Vaara, and Martin Kaupp
pp 5026 - 5033; 
 
Infrared Photodissociation Spectroscopy of
[Mg·(H2O)1-4]+ and [Mg·(H2O)1-4·Ar]+
Yoshiya Inokuchi, Keijiro Ohshimo, 
Fuminori Misaizu, and Nobuyuki Nishi
pp 5034 - 5040; 
 
Electron-Transfer Emission Spectra of a Cyanide-Bridged,
Cr(III)/Ru(II) Donor-Acceptor Complex: High Frequency 
(N-H and CN) Vibronic Contributions from Empirical 
Reorganizational Energy Profiles
Yuan-Jang Chen, Puhui Xie, and John F. Endicott
pp 5041 - 5049; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Direct ab Initio Dynamics Study of the Unimolecular
Reaction of CH2FO
Qiong Luo and Qian Shu Li
pp 5050 - 5056;
 
Transformation of Methane Hydrate to Carbon Dioxide
Hydrate: In Situ Raman Spectroscopic Observations
Ji-Ho Yoon, Taro Kawamura, Yoshitaka Yamamoto,
and Takeshi Komai
pp 5057 - 5059;
 
Substituent Effects in the Unimolecular Fragmentation
of Anisole Dication Derivatives
Jana Roithova, Detlef Schroder, and Helmut Schwarz
pp 5060 - 5068; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Thermal Electron Attachment to Chloroalkanes and 
Herschbach Ionic Morse Potentials for Carbon
Tetrachloride (CCl4)
Edward C. M. Chen and Edward S. Chen
pp 5069 - 5072; 
 
Ab Initio and Density Functional Study of Thionitroso
XNS and Thiazyl Isomers XSN, X = H, F, Cl, 
Br, OH, SH, NH2, CH3, CF3, and SiF3
Pablo A. Denis, Oscar N. Ventura, Hien Thu Mai, 
and Minh Tho Nguyen
pp 5073 - 5080; 
 
Structure, Energetics, Electronic, and Hydration
Properties of Neutral and Anionic Al3O6, Al3O7, 
and Al3O8 Clusters
S. Gowtham, Kah Chun Lau, Mrinalini Deshpande, 
Ravindra Pandey, Anita K. Gianotto, and Gary S. Groenewold
pp 5081 - 5090;
 
Theoretical Investigation of the Anion Binding 
Affinities of the Uranyl Salophene Complexes
Marcin Brynda, Tomasz A. Wesolowski, 
and Kamil Wojciechowski
pp 5091 - 5099;  
 
Geometries and Stabilities of Re-Doped Sin 
(n = 1-12) Clusters: A Density Functional Investigation
Ju-Guang Han, Zhao-Yu Ren, and Ben-Zuo Lu
pp 5100 - 5110;
 
Theoretical Prediction of Benzyne-Like Species 
in Pyrene Diradicals
I. Garcia-Cruz, J. M. Martinez-Magadan, 
J. M. Bofill, and F. Illas
pp 5111 - 5116; 
 
Rate Constants for the Hydrogen Abstractions in
the OH-Initiated Oxidation of Glycolaldehyde. 
A Variational Transition-state Theory Calculation
Montserrat Ochando-Pardo, Ignacio Nebot-Gil, 
Angels Gonzalez-Lafont, and Jose M. Lluch
pp 5117 - 5125; 
 
A Valence Bond Description of Coordinate 
Covalent Bonding
Alyson Ann Fiorillo and John Morrison Galbraith
pp 5126 - 5130;  

GENERAL PHYSICAL CHEMISTRY 
 
Local Structure around Cr3+ Ions in Dilute 
Acetate and Perchlorate Aqueous Solutions
Maxim I. Boyanov, Kenneth M. Kemner, 
Tomohiro Shibata, and Bruce A. Bunker
pp 5131 - 5138;