Journal of Physical Chemistry A, 2003, V 107, N 47, November 27.
ARTICLES
DYNAMICS AND RELAXATION
Coherent Control of Oscillatory Excitation Transfer in
Dithia-1,5[3,3]anthracenophane by a Phase-Locked Femtosecond Pulse Pair
Shin-ichiro Sato, Yoshinobu Nishimura, Yoshiteru Sakata, and Iwao Yamazaki
pp 10019 - 10025;
Photodissociation Studies of Mass-Selected
Complex Cations Mg+(N,N-dimethylformamide)1,2
Haichuan Liu, Yihua Hu, and Shihe Yang
pp 10026 - 10031;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Photodegradation of Sulfonylurea Molecules: Analytical
and Theoretical DFT Studies
Clemence Corminboeuf, Fabrice Carnal, Jacques Weber,
Jean-Marc Chovelon, and Henry Chermette
pp 10032 - 10038;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Dimerization by Hydrogen Bonding and Photochemical
Properties of Dipyridone
Ayako Matsumoto, Kiminori Maeda, and Tatsuo Arai
pp 10039 - 10045;
Microstructure and Water Adsorbability of Aircraft
Combustor Soots and Kerosene Flame Soots: Toward an
Aircraft-Generated Soot Laboratory Surrogate
O. B. Popovicheva, N. M. Persiantseva, B. V. Kuznetsov,
T. A. Rakhmanova, N. K. Shonija, J. Suzanne, and D. Ferry
pp 10046 - 10054;
Low-Temperature Kinetics of Reactions of OH Radical
with Ethene, Propene, and 1-Butene
Andrei B. Vakhtin, James E. Murphy, and Stephen R. Leone
pp 10055 - 10062;
Kinetics and Mechanism of the Chlorine
Dioxide-Tetrathionate Reaction
Attila K. Horvath, Istvan Nagypal, and Irving R. Epstein
pp 10063 - 10068;
Kinetic Analysis of the Thermal Isomerizations Linking
1-(E)-Propenyl-2-methylcyclobutanes with (Z)- and (
E)-1,5-Octadiene and 3-Ethylhexa-1,5-diene
John E. Baldwin and Richard C. Burrell
pp 10069 - 10073;
Dynamics and Mechanism of Bromate Oscillators
with 1,4-Cyclohexanedione
Istvan Szalai, Krisztina Kurin-Csorgei,
Irving R. Epstein, and Miklos Orban
pp 10074 - 10081;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Analytic and Variational X in the Slater-Roothaan Method
Brett I. Dunlap
pp 10082 - 10089;
Electronic Energy and Multipolar Moments Characterize
Amino Acid Side Chains into Chemically Related Groups
Hugo J. Bohorquez, Mateo Obregon, Constanza Cardenas,
Eugenio Llanos, Carlos Suarez, Jose Luis Villaveces,
and Manuel Elkin Patarroyo
pp 10090 - 10097;
Global and Local Reactivity and Activation Patterns of
HOOX (X = H, NO2, CO2-, SO3-) Peroxides with Solvent Effects
Felipe Aparicio, Renato Contreras, Marcelo Galvan,
and Andres Cedillo
pp 10098 - 10104;
Evaluation of the Hartree-Fock Dispersion (HFD) Model
as a Practical Tool for Probing Intermolecular
Potentials of Small Aromatic Clusters: Comparison
of the HFD and MP2 Intermolecular Potentials
Carlos Gonzalez and Edward C. Lim
pp 10105 - 10110;
Density Study of the Structures and Energies of
CnP3- (n = 2-8) Clusters
M. D. Chen, L. S. Zheng, Q. E. Zhang, M. H. Liu, and C. T. Au
pp 10111 - 10117;
Chromium-Chromium Multiple Bonding in Cr2(CO)9
Se Li, Nancy A. Richardson, R. Bruce King,
and Henry F. Schaefer III
pp 10118 - 10125;
Ab Initio Investigation of Structures and
Stability of SinCm Clusters
Zhen-Yi Jiang, Xiao-Hong Xu, Hai-Shun Wu,
and Zhi-Hao Jin
pp 10126 - 10131;
Molecular Dynamics Simulations of Self-Diffusivities,
Corrected Diffusivities, and Transport Diffusivities
of Light Gases in Four Silica Zeolites To Assess
Influences of Pore Shape and Connectivity
Anastasios I. Skoulidas and David S. Sholl
pp 10132 - 10141;
The Compressed Hydrogen Bond in a Molecular Proton Cage
Donald B. DuPre
pp 10142 - 10148;
A Theoretical Study of C4B Isomers. The Interconversion
of CCBCC and CCCCB via Cyclic C4B
Andrew M. McAnoy, John H. Bowie, and Stephen J. Blanksby
pp 10149 - 10153;
A New, Self-Contained Asymptotic Correction Scheme
To Exchange-Correlation Potentials for Time-Dependent
Density Functional Theory
So Hirata, Chang-Guo Zhan, Edoardo Apra,
Theresa L. Windus, and David A. Dixon
pp 10154 - 10158;
Rearrangements of 2-Nitrobenzyl Compounds.
2. Substituent Effects on the Reactions of
the Quinonoid Intermediates
Yuri V. Il'ichev
pp 10159 - 10170;
Theoretical Study of the Fragmentation of the -Lactam
Ring: Ozonolysis of
3-Methoxy-4-methyl-N-(ethylideneamino)-2-azetidinone
Diego Ardura and Tomas L. Sordo
pp 10171 - 10176;
Lithium-pyrazole-3,4,5-tricarbonitrile: Ion Pairing
and Lithium Ion Affinity Studies
Henrik Markusson, Stephane Beranger,
Patrik Johansson, Michel Armand, and Per Jacobsson
pp 10177 - 10183;
Computational Study of the Interaction in X-(CH3NH2)n
Clusters (X = F, Cl; n = 1-4). The Balance between
Ion-Molecule and Molecule-Molecule Interactions
Enrique M. Cabaleiro-Lago, Jose M. Hermida-Ramon,
and Jesus Rodriguez-Otero
pp 10184 - 10190;
Effect of the Conformational Kinetic Energy and the
Rotovibrational Coupling in the Conformational
Population of Bioactive Compounds
A. Nino, C. Munoz-Caro, M. Mora, and S. Reyes
pp 10191 - 10198;
Assessment of Quantum Mechanical Models Based on
Resolved Orbital Momentum Distributions of
n-Butane in the Outer Valence Shell
Feng Wang
pp 10199 - 10207;
An Alternative Mechanism for the Dimerization of Formic Acid
Nicole R. Brinkmann, Gregory S. Tschumper,
Ge Yan, and Henry F. Schaefer, III
pp 10208 - 10216;
GENERAL PHYSICAL CHEMISTRY
NMR Evidence of Weak Continuous Transitions in
Water and Aqueous Electrolyte Solutions
Stephanie R. Dillon and Ralph C. Dougherty
pp 10217 - 10220;
ADDITIONS AND CORRECTIONS
Comparison of Gas-Phase and Solution-Phase Reactions of
Dimethyl Sulfide and 2-(Methylthio)ethanol with Hydroxyl Radical
Michael L. McKee
pp 10221 - 10221;