The Journal of Physical Chemistry , 2000, V 104, N 17, 4 May.

LETTERS

 3865-3868 
13C NMR Patterns of Odd-Numbered C119 Fullerenes 
T. Heine, F.Zerbetto, G. Seifert, and P. W. Fowler 


ARTICLES


DYNAMICS AND RELAXATION

 3869-3877 
Pressure Shift Mechanisms of Spectral Holes in the Optical
Spectra of Dyes in Polymer Host Matrices Indrek Renge

3878-3883 
Effect of Addition Pattern on the Electrochemical and
Spectroscopic Properties of Neutral and Reduced 1,2- and
1,4-(C6H5CH2)2C60 Isomers Karl M. Kadish, Xiang Gao, Eric Van
Caemelbecke, Tomoyoshi Suenobu, and Shunichi Fukuzumi

3884-3893 
Photoinduced Hydrogen Atom Transfer in Salicylic Acid
Derivatives Used as Matrix-Assisted Laser Desorption/Ionization
(MALDI) Matrices Hans-Christian Lüdemann, Franz Hillenkamp, and
Robert W. Redmond 

 3894-3899 
Relaxation Processes of Translationally Hot O(1D) by Collisions
with O2 Nori Taniguchi, Kouichi Hirai, Kenshi Takahashi, and
Yutaka Matsumi 

 SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 3900-3904 
Phototautomeric Equilibrium in the Lowest Excited Singlet State
of 3-Hydroxyacridone Otto S. Wolfbeis and Christian Huber ,
Stephen G. Schulman 

 3905-3914 
Reactions of Laser-Ablated Ni, Pd, and Pt Atoms with Carbon
Monoxide: Matrix Infrared Spectra and Density Functional
Calculations on M(CO)n (n = 1-4), M(CO)n- (n = 1-3), and
M(CO)n+ (n = 1-2), (M = Ni, Pd, Pt) Binyong Liang, Mingfei
Zhou, and Lester Andrews 

 3915-3925 
Reactions of Laser-Ablated Fe, Co, and Ni with NO: Infrared
Spectra and Density Functional Calculations of MNO+ and M(NO)x
(M = Fe, Co, x = 1-3; M = Ni, x = 1, 2), and M(NO)x- (M = Co,
Ni; x = 1, 2) Mingfei Zhou and Lester Andrews 

 3926-3932 
Gas-Phase Coordination of Mg+, (c-C5H5)Mg+, and (c-C5H5)2Mg+
with Saturated Hydrocarbons Rebecca K. Milburn, Maxim V. Frash,
Alan C. Hopkinson, and Diethard K. Bohme 

 3933-3939 
Anharmonic Effects and Vibrational Dynamics in H-Bonded Liquids
by Attenuated Total Reflectance FT-IR Spectroscopy V. Crupi, G.
Maisano, D. Majolino, P. Migliardo, and V. Venuti

3940-3943 
From 3He@C60 to 3H@C60: Hot-Atom Incorporation of Tritium in
C60 Anthony Khong, R. James Cross, and Martin Saunders

3944-3951 
Vibrational Transition Current Density in (S)-Methyl Lactate:
Visualizing the Origin of the Methine-Stretching Vibrational
Circular Dichroism Intensity Teresa B. Freedman, Eunah Lee, and
Laurence A. Nafie 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 3952-3957 
In-Situ Monitoring of Urethane Formation by FTIR and Raman
Spectroscopy Lifeng Xu, Chi Li, and K. Y. Simon Ng

3958-3963 
Oxygen Production in the Oscillatory Bray-Liebhafsky Reaction
Peter [Image]ev[Image]ík, Katarína Kissimonová, and L'ubica
Adam[Image]íková 

 3964-3973 
Temperature Dependent Kinetics of the OH/HO2/O3 Chain Reaction
by Time-Resolved IR Laser Absorption Spectroscopy Sergey A.
Nizkorodov, Warren W. Harper, Bradley W. Blackmon, and David J.Nesbitt 

 3974-3983 
Diagnostics and Kinetic Modeling of the Ignition and the
Extinction Transients of a Hollow Cathode N2O Discharge T. de
los Arcos, C. Domingo, V. J. Herrero, M. M. Sanz, and I.Tanarro 

3984-3990 
Hydrolysis of N2O5 on Submicron Sulfuric Acid Aerosols Mattias
Hallquist, David J. Stewart, Jacob Baker, and R. Anthony Cox

3991-3997 
Reaction of OH + NO2 + M: A New View David M. Golden and
Gregory P. Smith 

 3998-4003
 Atmospheric Chemistry of Selected Hydroxycarbonyls Sara M.
Aschmann, Janet Arey, and Roger Atkinson 

 4004-4010
 Carbon-Hydrogen vs Carbon-Carbon Protonation in the Proton
Transfer from Alkane Radical Cations to Alkane Molecules. A
Study in [Image]-Irradiated CCl3F/Decane at 77 K Adelheid
Demeyer and Jan Ceulemans 

 4011-4016 
Oxidation of Aqueous Polyselenide Solutions. A Mechanistic
Pulse Radiolysis Study Andreas Goldbach , Marie-Louise Saboungi
and J. A. Johnson , Andrew R. Cook , Dan Meisel 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 4017-4021 
Proton Affinity and Protonation Sites of Aniline. Energetic
Behavior and Density Functional Reactivity Indices Nino Russo,
Marirosa Toscano, André Grand, and Tzonka Mineva

4022-4029 
p-Phenylbisphosphinidene and Its Carbene and Nitrene Analogues:
An ab Initio Study Michaela Flock, Kristine Pierloot, Minh Tho
Nguyen, and Luc G. Vanquickenborne 

 4030-4044 
Exploration of the Mechanism of the Activation of ClONO2 by HCl
in Small Water Clusters Using Electronic Structure Methods
Jonathan P. McNamara, Gary Tresadern, and Ian H. Hillier

4045-4050 
Photodissociation of HN3 at 248 nm and Longer Wavelength: A
CASSCF Study Wei-Hai Fang 

 4051-4057 
Gas-Phase Acidities of Tetrahedral Oxyacids from ab Initio
Electronic Structure Theory James R. Rustad, David A. Dixon,
James D. Kubicki, and Andrew R. Felmy 

 4058-4063 
Theoretical Studies of the Mechanism for the Synthesis of
Silsesquioxanes. 2. Cyclosiloxanes (D3 and D4) Takako Kudo ,
Mark S. Gordon 

 4064-4068 
Electronic Spectrum of the NpO22+ and NpO2+ Ions Spiridoula
Matsika and Russell M. Pitzer 

 4069-4076 
Ab Initio Study of the X- + RCOY Displacement Reactions with R
= H, CH3 and X, Y = Cl, Br Chang Kon Kim, Hong Guang Li, Hai
Whang Lee, Chang Kook Sohn, Young I Chun, and Ikchoon Lee

4077-4083 
Bond Dissociation Energies of the Tungsten Fluorides and Their
Singly Charged Ions: A Density Functional Survey Kenneth G.Dyall 

 4084-4088 
Binding of Alkaline Earth Halide Ions MX+ to Benzene and
Mesitylene Alexei Gapeev and Robert C. Dunbar [

 4089-4094 
AM1/d Parameters for Molybdenum Alexander A. Voityuk and Notker
Rösch 

 4095-4101 
Importance of Charge Transfer and Polarization Effects for the
Modeling of Uranyl-Cation Complexes Lars Hemmingsen, Patricia
Amara, Eric Ansoborlo, and Martin J. Field 

 4102-4107 
A Solid-State NMR and Theoretical Study of the 17O Electric
Field Gradient and Chemical Shielding Tensors of the Oxonium
Ion in p-Toluenesulfonic Acid Monohydrate Gang Wu, Andrea Hook,
Shuan Dong, and Kazuhiko Yamada 

GENERAL PHYSICAL CHEMISTRY

 4108-4114 
Photochemical Reactions of Oxygen Atoms with Toluene, m-Xylene,
p-Xylene, and Mesitylene: An Infrared Matrix Isolation
Investigation James K. Parker and Steven R. Davis

4115-4120 
Kinetic and Spectroscopic Properties of Carbene-Diazirine
Ylides Roland Bonneau , Michael T. H. Liu 

 4121-4128 
New Cesium-Selective Hydrophilic Ligands: UV Measures of Their
Interactions toward Cs and Cs/Na Separation by Nanofiltration
Complexation Frédéric Chitry, Stéphane Pellet-Rostaing,
Laurence Nicod, Jean-Louis Gass, Jacques Foos, Alain Guy, and
Marc Lemaire