The Journal of Physical Chemistry A, 2001, V 105, N 32, 16 August.
ARTICLES
DYNAMICS AND RELAXATION
7495-7500
Fluorescence Anisotropy Decay in Polymer-Surfactant Aggregates
Sobhan Sen, Dipankar Sukul, Partha Dutta, and Kankan Bhattacharyya
7501-7507
Phase and Energy Relaxation of Vibrational Motion and Its Manifestation in
Femtosecond Pump-Probe Experiments on I2 in Rare Gas Environments
V. A. Ermoshin and V. Engel , A. K. Kazansky
7508-7513
Elementary Reactions of Energy-Selected Fluoroethene and 1,1-Difluoroethene
Ions. 2. The Kinetics of HF-Loss
Felix Güthe, Helmut Baumgärtel, and Karl-Michael Weitzel
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
7514-7524
Polarized Infrared Absorption Spectra of Matrix-Isolated Allyl Radicals
Sreela Nandi, Pamela A. Arnold, Barry K. Carpenter,Mark R. Nimlos,
David C. Dayton, and G. Barney Ellison
7525-7533
Distinction between Light and Heavy Lanthanide(III) Ions Based on the
1H NMR Spectra of Heteroleptic Triple-Decker Phthalocyaninato
Sandwich Complexes
Dennis P. Arnold and Jianzhuang Jiang
7534-7540
Photoelectron Spectroscopy of Yttrium Oxide Cluster Anions: Effects of Oxygen
and Metal Atom Addition
Axel Pramann, Yoshiaki Nakamura, and Atsushi Nakajima , Koji Kaya
7541-7550
Infrared Spectrum of the H3N-HI Complex in Solid Ne, Ar, Ne/Ar, Kr,
and N2. Comparisons of Matrix Effects on Hydrogen-Bonded Complexes
Lester Andrews and Xuefeng Wang
7551-7558
Theoretical Investigation of the
H3O+(H2O)4 Cluster
R. A. Christie and K. D. Jordan
7559-7568
Laser-Induced Fluorescence of the CHClCHO Radical and Reaction of Oxygen Atoms
with Halogenated Ethylenes
Satoshi Inomata, Isabelle Bridier, Masashi Furubayashi, Takashi Imamura, and
Gen Inoue, Makoto Yamaguchi, Nobuaki Washida
7569-7578
UV Spectrum of the High Energy Conformer of 1,3-Butadiene in the Gas Phase
Jack Saltiel, Donald F. Sears Jr., and Andrzej M. Turek
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
7579-7587
CH2 + CO2 CH2O + CO, One-Step Oxygen Atom
Abstraction or Addition/Fragmentation via -Lactone?
Dalila Kovacs and James E. Jackson
7588-7597
Rate Coefficients and Mechanistic Analysis for the Reaction of Hydroxyl Radicals
with 1,1-Dichloroethylene and trans-1,2-Dichloroethylene over an Extended
Temperature Range Takahiro Yamada, Abdulaziz El-Sinawi, Masud Siraj, and
Philip H. Taylor , Jingping Peng, Xiaohua Hu, and Paul Marshall
7598-7606
Atmospheric Chemistry of Three C10 Alkanes
Sara M. Aschmann, Janet Arey, and Roger Atkinson
7607-7614
Reaction Kinetics in Ionic Liquids: Pulse Radiolysis Studies of 1-Butyl-3-
methylimidazolium Salts
David Behar, Carlos Gonzalez, and Pedatsur Neta
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
7615-7625
Theoretical Analysis of Heteroaromatic Thioaminyl Radicals. Part 1: A
Comparison of Ab Initio and Density Functional Methods in Calculations of
Molecular Geometry and Isotropic Hyperfine Coupling Constants
Piotr Kaszynski
7626-7633
Theoretical Analysis of Heteroaromatic Thioaminyl Radicals. Part 2: A Comparison
of Ab Initio and Density Functional Methods in the Description of Redox
Processes
Piotr Kaszynski
7634-7637
Ab Initio Investigation of Hydrogenation of C60
Yasuharu Okamoto
7638-7645
On the Full Topology of the Laplacian of the Electron Density II: Umbrella
Inversion of the Ammonia Molecule
Nathaniel O. J. Malcolm and Paul L. A. Popelier
7646-7650
Classical and Mixed Quantum Mechanical/Molecular Mechanical Simulation of
Hydrated Manganous Ion
Jorge Iglesias Yagüe, Ahmed M. Mohammed, Hannes Loeffler, and Bernd M. Rode
7651-7664
A Gaussian-2 ab Initio Study of the [C2H5S]-
Potential Energy Surface: I. Structures and Energetics of [C2H5S]- Anions and Fragmentation Pathways of
the Thioethoxide Anion
S.-W. Chiu , Wai-Kee Li
7665-7671
Stable Hexacoordinated Neutral Complexes between Silyl Halides and Two Water or
Two Ammonia Molecules: SiX4Y2 (X = H, F, Cl; Y =
H2O, NH3)
Igor S. Ignatyev and Henry F. Schaefer, III
7672-7685
Accurate Theoretical Study of the Excited States of Boron and Aluminum Carbides,
BC, AlC. 2
Demeter Tzeli and Aristides Mavridis
7686-7692
Ab Initio Study of the HF-H(2S) van der Waals Complex
Vladimír Luke,
Imrich Vrábel, Viliam Laurinc, and Stanislav Biskupi
7693-7699
Stabilization of the Pseudo-Benzene N6 Ring with Oxygen
Kenneth J. Wilson, S. Ajith Perera, and Rodney J. Bartlett , John D. Watts
7700-7706
Vibrational Structure and Vibronic Coupling in the Carbon 1s Photoelectron
Spectra of Ethane and Deuteroethane
Tor Karlsen, Leif J. Sæthre, Knut J. Brve, Nora Berrah, Edwin Kukk,
John D. Bozek, Thomas X. Carroll, and T. Darrah Thomas
7707-7712
Direct ab Initio Dynamics Calculations of the Reaction Rates for the Hydrogen
Abstraction OH + HBr H2O + Br
Jing-yao Liu, Ze-sheng Li, Zhen-wen Dai, Xu-ri Huang, and Chia-chung Sun
7713-7723
Ab Initio Study of Radical Reactions: Cyclization Pathways for the Butylbenzene
Radical (II)
V. Van Speybroeck, Y. Borremans, D. Van Neck, and M. Waroquier , S. Wauters,
M. Saeys, and G. B. Marin
7724-7736
A Systematic Study of the Reactions of OH- with Chlorinated Methanes.
1. Benchmark Studies of the Gas-Phase Reactions
Yurii A. Borisov , Edgar E. Arcia, Steven L. Mielke, Bruce C. Garrett, and
Thom H. Dunning, Jr.
7737-7744
Electronic Structure, Stability, and Nature of Bonding of the Complexes of
C2H2 and C2H4 with H+,
Li+, and Na+ Ions. Extensive ab Initio and Density
Functional Study
Tapas Kar , R. Ponec , A. B. Sannigrahi
7745-7750
C5H4: Pyramidane and Its Low-Lying Isomers
Joseph P. Kenny, Karl M. Krueger, Jonathan C. Rienstra-Kiracofe, and
Henry F. Schaefer III
GENERAL PHYSICAL CHEMISTRY
7751-7758
Multidimensional Electron Transfer Pathways in a Tetrahedral Tetrakis{4-[N,N-
di(4-methoxyphenyl)amino]phenyl}Phosphonium Salt: One-Step vs Two-Step
Mechanism
Christoph Lambert, Gilbert Nöll, and Frank Hampel
7759-7764
Two-Photon Spectroscopy of -
Conjugated Polymers: The Case of Poly[1,6-bis(3,6-dihexadecyl-N-carbazolyl)-
2,4-hexadiyne] (PolyDCHD-HS)
Laura Moroni, Pier Remigio Salvi, and Cristina Gellini , Giovanna Dellepiane,
Davide Comoretto, and Carla Cuniberti