Journal of Physical Chemistry A, 2004, V 108, N 32, 12 August.

LETTERS
 
Structure, Coordination, and Solvation of V+(benzene)n
Complexes via Gas Phase Infrared Spectroscopy
T. D. Jaeger, E. D. Pillai, and M. A. Duncan
pp 6605 - 6610; 

ARTICLES

DYNAMICS AND RELAXATION 
 
The H + N2O  OH + N2 Reaction Dynamics on
an Interpolated QCISD Potential Energy Surface. 
A Quasiclassical Trajectory Study
J. F. Castillo, F. J. Aoiz, L. Banares, and M. A. Collins
pp 6611 - 6623; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Spectroscopic Evidence for Equilibrium between
Eight- and Nine-Coordinate Eu3+(aq)
Species in 0.1 M EuCl3(aq)
Lisa Tilkens, Kristen Randall, Jian Sun, 
Mary T. Berry, P. Stanley May, and Toshihiro Yamase
pp 6624 - 6628;

Differences in the IR Methylene Rocking Bands
between the Crystalline Fatty Acids and n-Alkanes:
Frequencies, Intensities, and Correlation Splitting
Hung-Wen Li, Herbert L. Strauss, and Robert G. Snyder
pp 6629 - 6642; 

Quintet State Electron Spin Resonance
Spectra of Pyridyldinitrenes
Sergei V. Chapyshev, Richard Walton, 
Paul R. Serwinski, and Paul M. Lahti
pp 6643 - 6649; 
 
Ultrafast Electron Diffraction: Structural Dynamics'
of the Elimination Reaction of Acetylacetone
Shoujun Xu, Sang Tae Park, Jonathan S. Feenstra,
Ramesh Srinivasan, and Ahmed H. Zewail
pp 6650 - 6655; 
 
Infrared Absorption Spectra of SSO- Anion
in Solid Argon
Aihua Zeng, Liang Yu, Yun Wang,
Qingyu Kong, Qiang Xu, and Mingfei Zhou
pp 6656 - 6660;
 
Relationship between Ionization Potential,
Polarizability, and Softness: A Case Study
of Lithium and Sodium Metal Clusters
K. R. S. Chandrakumar, Tapan K. Ghanty,
and Swapan K. Ghosh
pp 6661 - 6666; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Kinetics and Yields of Electron Transfer
in the Inverted Region
V. Gladkikh, A. I. Burshtein, G. Angulo, 
Stephane Pages, Bernard Lang, and Eric Vauthey
pp 6667 - 6678; 
 
Kinetics of Spin Trapping Superoxide, 
Hydroxyl, and Aliphatic Radicals by Cyclic Nitrones
Sara Goldstein, Gerald M. Rosen, 
Angelo Russo, and Amram Samuni
pp 6679 - 6685; 
 
Products and Mechanisms of Ozone Reactions
with Oleic Acid for Aerosol Particles
Having Core-Shell Morphologies
Yasmine Katrib, Scot T. Martin, Hui-Ming Hung,
Yinon Rudich, Haizheng Zhang, Jay G. Slowik,
Paul Davidovits, John T. Jayne, 
and Douglas R. Worsnop
pp 6686 - 6695; 
 
Photoinduced Intermolecular Electron
Transfer in Liquid Solutions
V. O. Saik, A. A. Goun, J. Nanda, Koichiro Shirota,
H. L. Tavernier, and M. D. Fayer
pp 6696 - 6703; 
 
Flowing Afterglow Studies of the Temperature
Dependencies for Dissociative Recombination
of O2+, CH5+, C2H5+, and C6H7+ with Electrons
Jason L. McLain, Viktoriya Poterya,
Christopher D. Molek, Lucia M. Babcock,
and Nigel G. Adams
pp 6704 - 6708; 
 
Use of Coupled Rate Equations To Describe
Nucleation-and-Branching Rate-Limited
Solid-State Processes
Peter J. Skrdla
pp 6709 - 6712; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Molecular Orbital Calculations of Water
Clusters on Counterpoise-Corrected
Potential Energy Surfaces
Robert Wieczorek, Laury Haskamp,
and J. J. Dannenberg
pp 6713 - 6723; 
 
MRSDCI Vertical Excitation Energies and
MQDO Intensities for Electronic Transitions
to Rydberg States in H2S
A. M. Velasco, I. Martin, J. Pitarch-Ruiz,
and J. Sanchez-Marin
pp 6724 - 6729; 
 
A DFT Study on Isomorphously Substituted MCM-22 Zeolite
Yan Wang, Danhong Zhou, Gang Yang, 
Shaojun Miao, Xiancun Liu, and Xinhe Bao*
pp 6730 - 6734; 

Density Functional Theory Study of the 
Hydrogen-Bonding Interaction of 1:1 
Complexes of Alanine with Water
Hai-tao Zhang, Zheng-yu Zhou, and Yun Shi
pp 6735 - 6743; 
 
Theoretical Study of the C-F/ Interaction:
Attractive Interaction between Fluorinated 
Alkane and an Electron-Deficient -System
Shun-ichi Kawahara, Seiji Tsuzuki, 
and Tadafumi Uchimaru
pp 6744 - 6749;
 
Mechanistic Insight into the Symmetric 
Fission of [4Fe-4S] Analogue Complexes 
and Implications for Cluster Conversions
in Iron-Sulfur Proteins
Shuqiang Niu, Xue-Bin Wang, Xin Yang, 
Lai-Sheng Wang, and Toshiko Ichiye
pp 6750 - 6757;
 
Theoretical Investigation of the Neutra
l Precursor of (H2O)6- 
Evgeniy M. Myshakin, Kadir Diri, 
and Kenneth D. Jordan
pp 6758 - 6762;

A DFT Study of the Low-Lying Singlet 
Excited States of the All-Trans Peridinin in vacuo
Riccardo Spezia, Costantino Zazza, 
Amedeo Palma, Andrea Amadei, 
and Massimiliano Aschi
pp 6763 - 6770; 
 
A Theoretical Study on the Potential 
Energy Surface of the 3C2 + NO Reaction
Zhi-Gang Wei, Xu-Ri Huang, Shao-Wen Zhang, 
Yan-Bo Sun, Hu-Jun Qian, and Chia-Chung Sun
pp 6771 - 6777; 
 
Molecular Structure and Thermochemistry 
of Tin Dibromide Monomers and Dimers. 
A Computational and Electron Diffraction Study
Maria Kolonits, Balazs Reffy, Gabor Jancso,
and Magdolna Hargittai
pp 6778 - 6783; 
 
Theoretical Study on Thermodynamic 
Properties of C1-C16 Alkanes: 
A 3-Parameter Least-Squared Calibration
Min-Hsien Liu, Cheng Chen, 
Chuan-Wen Liu, and Yaw-Shun Hong
pp 6784 - 6787; 
 
Atomic Mean Dipole Moment Derivative 
and Anisotropic Contributions
to Molecular Infrared Intensity Sums
R. L. A. Haiduke, A. E. de Oliveira, and R. E. Bruns
pp 6788 - 6796; 
 
Theoretical Studies of Ground and Excited 
Electronic States in a Series of Halide 
Rhenium(I) Bipyridine Complexes
Li Yang, Ai-Min Ren, Ji-Kang Feng,
Xiao-Juan Liu, Yu-Guang Ma, Ming Zhang,
Xiao-Dong Liu, Jia-Cong Shen,
and Hong-Xing Zhang
pp 6797 - 6808;