Journal of Physical Chemistry, 2003, V 107, N 1, January 9.
ARTICLES
DYNAMICS AND RELAXATION
Diffusion of Water in Liquid and Supercritical Carbon Dioxide: An NMR Study
Bin Xu, Kaz Nagashima, Joseph M. DeSimone, and Charles S. Johnson, Jr.
pp 1 - 3;
Using Diffusion Monte Carlo to Evaluate the Initial Conditions for Classical
Studies of the Photodissociation Dynamics of HCl Dimer
Benjamin M. Auer and Anne B. McCoy
pp 4 - 12;
The Field-Assisted Stepwise Dissociation of Acetone in an Intense Femtosecond
Laser Field
Xiao-ping Tang, Su-fan Wang, Mohamed E. Elshakre, Li-rong Gao, Yong-ling Wang,
Hong-fei Wang, and Fan-ao Kong
pp 13 - 18;
Formation of Molecular Iodine from the Two-Photon Dissociation of CI4 and CHI3:
An Experimental and Computational Study
Eric D. Tweeten, Benjamin J. Petro, and Robert W. Quandt
pp 19 - 24;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Investigation of the Gas-Phase Amino Acid Alanine by Synchrotron Radiation
Photoelectron Spectroscopy
Ivan Powis, Emma E. Rennie, Uwe Hergenhahn, Oliver Kugeler, and Reagan Bussy-
Socrate
pp 25 - 34;
Zeeman Effects in Transient Spectral Hole-Burning of the R1 Line of
NaMgAl(Oxalate)3·9H2O/Cr(III) in Low Magnetic Fields
Joseph L. Hughes and Hans Riesen
pp 35 - 42;
Excitonic Behavior of Rhodamine Dimers: A Single-Molecule Study
Jordi Hernando, Martijn van der Schaaf, Erik M. H. P. van Dijk, Markus Sauer,
Mari'a F. Garci'a-Parajo', and Niek F. van Hulst
pp 43 - 52;
Intramolecular Hydrogen Bonding in 2-Chloroethanol and 2-Bromoethanol and
Anisotropic Interactions with He*(23S) Metastable Atoms: Two-Dimensional Penning
Ionization Electron Spectroscopy Combined with Quantum Chemistry Calculations
Shan Xi Tian, Naoki Kishimoto, and Koichi Ohno
pp 53 - 62;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Isomerization and Decomposition Reactions of Primary Alkoxy Radicals Derived
from Oxygenated Solvents
Melissa A. Ferenac, Andrew J. Davis, Andrew S. Holloway, and Theodore S. Dibble
pp 63 - 72;
The Effect of Light on the Bray-Liebhafsky Reaction
Sa'ndor Ke'ki, Gabriella Sze'kely, and Miha'ly T. Beck
pp 73 - 75;
Formation of Cyanate (OCN) and Fulminate (ONC) Radicals from Anionic Precursors
in the Gas Phase. A Joint Experimental and Theoretical Study
Suresh Dua and John H. Bowie
pp 76 - 82;
Excited State Prototropic Activities in 2-Hydroxy 1-Naphthaldehyde
Papia Chowdhury, Subhasis Panja, and Sankar Chakravorti
pp 83 - 90;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Theoretical Study on Cystine-Based Cyclobisamides
Francesco Ferrante and Gianfranco La Manna
pp 91 - 96;
Theoretical Calculation of the Optical Anisotropy of Substituted Cyclohexanes
and Associated Bisphenyl Molecules Using Experimentally Derived Group
Polarizabilities
M. S. Sulatha, S. Sivaram, and U. Natarajan
pp 97 - 103;
Electronic Structure and Magnetic Properties of Y2Ti
(-X)2TiY2 (X, Y=H, F, Cl, Br) Isomers
Christine M. Aikens and Mark S. Gordon
pp 104 - 114; (
Hydrogen Atom Adducts to the Amide Bond. Generation and Energetics of Amide
Radicals in the Gas Phase
Erik A. Syrstad, Daniel D. Stephens, and Frantisek Turelek
pp 115 - 126;
Bond Orders and Their Relationships with Cumulant and Unpaired Electron
Densities
Alicia Torre, Luis Lain, and Roberto Bochicchio
pp 127 - 130;
Effects of Substituting Group on the Hydrogen Bonding in Phenol-H2O Complexes:
Ab Initio Study
Doo-Sik Ahn, Sung-Woo Park, Sungyul Lee, and Bongsoo Kim
pp 131 - 139;
Quantum Chemical Calculation of Excited States of Flavin-Related Molecules
Christian Neiss, Peter Saalfrank, Maja Parac, and Stefan Grimme
pp 140 - 147;
Configuration Interaction Study of the Low-Lying Electronic States of Silicon
Monoxide
Surya Chattopadhyaya, Anjan Chattopadhyay, and Kalyan Kumar Das
pp 148 - 158;
A Mechanistic Study of the Bransted-Acid Catalysis of n-Hexane Propane +
Propene, Featuring Carbonium Ions
Ken C. Hunter, Christa Seitz, and Allan L. L. East
pp 159 - 168;
Semiempirical Characterization of Homonuclear Diatomic Ions: 6. Group VI and VII
Anions
Edward S. Chen and Edward C. M. Chen
pp 169 - 177;
pH-Dependent Spectroscopy and Electronic Structure of the Guanine Analogue 6,8-
Dimethylisoxanthopterin
Eleanore Seibert, Alexander S. Chin, Wolfgang Pfleiderer, Mary E. Hawkins,
William R. Laws, Roman Osman, and J. B. Alexander Ross
pp 178 - 185;
Molecular Structure, Vibrational Frequencies, and Energetics of the HCO, HOCO,
and HCO2 Anions
David A. Dixon, David Feller, and Joseph S. Francisco
pp 186 - 190;
Density Functional Calculations of Small Anionic Clusters of Group III Nitrides
Aurora Costales and Ravindra Pandey
pp 191 - 197;
Ab Initio Study of the Thermal Isomerization of Tricyclo[3.1.0.02,6]hexane to
(Z,Z)-1,3-Cyclohexadiene through the (E,Z)-1,3-Cyclohexadiene Intermediate
Steven R. Davis, Kiet A. Nguyen, Koop Lammertsma, Daniell L. Mattern, and James
E. Walker
pp 198 - 203;
Geometric and Energetic Aspects of Aluminum Nitride Cages
Hai-Shun Wu, Fu-Qiang Zhang, Xiao-Hong Xu, Cong-Jie Zhang, and Haijun Jiao
pp 204 - 209;