Journal of Physical Chemistry, 2003, V 107, N 20, May 22.

FEATURE ARTICLE

Structure, Bonding, and Vibrational Frequencies of CH3CN-BF3:
New Insight into Medium Effects and the Discrepancy between
the Experimental and Theoretical Geometries
David J. Giesen and James A. Phillips
pp 4009 - 4018; 

ARTICLES

DYNAMICS AND RELAXATION

Photoisomerization and Photodissociation of m-Xylene in a Molecular Beam
Cheng-Liang Huang, Jyh-Chiang Jiang, Yuan T. Lee, and Chi-Kung Ni
pp 4019 - 4024; 

Dielectric Spectroscopy of Aqueous Solutions of KCl and CsCl
Ting Chen, Glenn Hefter, and Richard Buchner
pp 4025 - 4031; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Electronic and Infrared Spectroscopy of Anthranilic
Acid in a Supersonic Jet
Cathrine A. Southern, Donald H. Levy, Gina M. Florio, 
Asier Longarte, and Timothy S. Zwier
pp 4032 - 4040;

Mass-Resolved Nanosecond Laser Spectroscopy of 
Jet-Cooled Ferrocene in the Region of the 3dz2 R4px,y One-Photon Rydberg Transition
Sergey Yu. Ketkov, Heinrich L. Selzle, Edward W. Schlag, and Georgy A. Domrachev
pp 4041 - 4045; 

Prototype Microsolvation of Aromatic Hydrocarbon Cations
by Polar Ligands: IR Spectra of Benzene+-Ln Clusters (L = H2O, CH3OH)
Nicola Solca` and Otto Dopfer
pp 4046 - 4055; 

Comparison of BN and AlN Substitution on the Structure
and Electronic and Chemical Properties of C60 Fullerene
Jayasree Pattanayak, Tapas Kar, and Steve Scheiner
pp 4056 - 4065; 

Interaction of O2 with Gold Clusters: Molecular and Dissociative Adsorption
Bokwon Yoon, Hannu Ha"kkinen, and Uzi Landman
pp 4066 - 4071; 

Femtosecond Resonance-Enhanced Multiphoton Ionization
of Perylene in Hexane. Electronic Excitation of the Radical
Cation and Evidence of Hydrogen ion from the Solvent
Jesse S. Greever, Joseph B. M. Turner, and John F. Kauffman
pp 4072 - 4080;

Matrix Infrared Spectra and Density Functional
Theory Calculations of Manganese and Rhenium Hydrides
Xuefeng Wang and Lester Andrews
pp 4081 - 4091; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Mechanism of Metal-to-Ligand Charge Transfer Sensitization
of Olefin Trans-to-Cis Isomerization in the 
fac-[ReI(phen)(CO)3(1,2-bpe)]+ Cation
Dana M. Dattelbaum, Melina Kayoko Itokazu,
Neyde Y. Murakami Iha, and Thomas J. Meyer
pp 4092 - 4095;

The Reaction of Dimethylsilylene with Carbon Tetrachloride in
Solution Studied by Means of Spin Chemistry and
Laser Pulse Photolysis Methods
Marc B. Taraban, Olga S. Volkova, Victor F. Plyusnin,
Alexander I. Kruppa, Tatyana V. Leshina, Michael P. Egorov,
and Oleg M. Nefedov
pp 4096 - 4102; 

Common Precursor Mechanism for the Heterogeneous Reaction
of D2O, HCl, HBr, and HOBr with Water Ice in the Range
170-230 K: Mass Accommodation Coefficients on Ice
Benoi^t Fluckiger and Michel J. Rossi
pp 4103 - 4115; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Addition Reactions of Silylenoids H2SiLiX (X = F, Cl) to Acetylene
Shengyu Feng, Yufang Zhou, and Dacheng Feng
pp 4116 - 4121; 

Density Functional Investigation of Hydrated V(II) and V(III) Ions:
Influence of the Second Coordination Sphere; Water Exchange Mechanism
Meriem Benmelouka, Sabri Messaoudi, Eric Furet,
Re'gis Gautier, Eric Le Fur, and Jean-Yves Pivan
pp 4122 - 4129; 

Effects of Substituents on Arsenic-Tin Triple Bonds: A Theoretical Study
Ya-Hui Hu and Ming-Der Su
pp 4130 - 4135;

Interaction of Y, Y2, Mo, and Mo2 with NH3. A Density Functional Study
Ana Marti'nez, Benoit Simard, and Dennis R. Salahub
pp 4136 - 4140; 

A Wavefunction-Based Criterion for the Detection of Intermolecular
Interactions in Molecular Dynamics Simulations
Markus Reiher and Barbara Kirchner
pp 4141 - 4146; 

57Fe Mo"ssbauer Quadrupole Splittings and Isomer Shifts
in Spin-Crossover Complexes: A Density Functional
Theory Investigation
Yong Zhang and Eric Oldfield
pp 4147 - 4150;

A Quantum Mechanical Study on the Electrostratic
Interactions of Poly(L-lysine)·Alkyl Sulfate Complexes
Carlos Alema'n, David Zanuy, and Jordi Casanovas
pp 4151 - 4156;

Density Analysis of Intermolecular Orbital-Interaction
Effects on the Second Hyperpolarizabilities of  -  Stacking Dimers
Masayoshi Nakano, Satoru Yamada, Masahiro Takahata, and Kizashi Yamaguchi
pp 4157 - 4164; 

Infrared Spectra of Nickel Octaethylporphyrin and Its Isotopomers
Computed via Density Functional Theory-Scaled
Quantum Mechanical (DFT-SQM) Method.
Lindy K. Stoll, Marek Z. Zgierski, and Pawel M. Kozlowski
pp 4165 - 4171;

Electronic and Vibrational Polarizabilities and Hyperpolarizabilities
of Azoles: A Comparative Study of the Structure-Polarization
Relationship
Karl Jug, Sandro Chiodo, Patrizia Calaminici,
Aggelos Avramopoulos, and Manthos G. Papadopoulos
pp 4172 - 4183; 

Ionization Potential, Electron Affinity, Electronegativity, 
Hardness, and Electron Excitation Energy: Molecular
Properties from Density Functional Theory Orbital Energies
Chang-Guo Zhan, Jeffrey A. Nichols, and David A. Dixon
pp 4184 - 4195; 

Significant Low-Order Effects in the Onset
of Protonation and Related Interactions
Clifford E. Dykstra
pp 4196 - 4202;