Journal of Physical Chemistry, 2002, V 106, N 29, July 25.
LETTERS
Rapid Calculation of the Structures of Solutions with ab Initio Interaction
Potentials
Robert H. Wood, Wenbin Liu, and Douglas J. Doren
pp 6689 - 6693
ARTICLES
DYNAMICS AND RELAXATION
Intramolecular Vibrational Relaxation Seen as Expansion in Phase Space. 4.
Generic Relaxation Laws for a Spectroscopic Clump Profile
V. B. Pavlov-Verevkin and J. C. Lorquet
pp 6694 - 6701
Role of Structural Changes in the Triplet-Triplet Energy Transfer Process to
Oxime Derivatives
Jacques Lalev?e, Xavier Allonas, Fr?d?ric Lou?rat, and Jean Pierre Fouassier
pp 6702 - 6709
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Absorption Spectroscopic Study of the Complexation of C70 with Aniline and
Substituted Anilines
Sumanta Bhattacharya, Sandip K. Nayak, Subrata Chattopadhyay, Manas Banerjee,
and Asok K. Mukherjee
pp 6710 - 6713
Probing Microstructure of Acetonitrile-Water Mixtures by Using Two-Dimensional
Infrared Correlation Spectroscopy
Eric M. Tee, Aminiel Awichi, and Wei Zhao
pp 6714 - 6719
Neon Matrix Infrared Spectra and DFT Calculations of Tungsten Hydrides WHx
(x = 1-4, 6)
Xuefeng Wang and Lester Andrews
pp 6720 - 6729
High-Resolution Spectroscopic Study of Matrix-Isolated Reactive Intermediates:
Vibrational Assignments for 3-Fluoro-o-Benzyne and Perfluoro-o-Benzyne
J. George Radziszewski, Jacek Waluk, Piotr Kaszynski, and Jens Spanget-Larsen
pp 6730 - 6737
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
On the Evidence Obtained by Exciting 7-Azaindole at 320 nm in 10-2 M Solutions
J. Catal?n
pp 6738 - 6742
OH-Radical Induced Oxidation of Phenoxyacetic Acid and 2,4-Dichlorophenoxyacetic
Acid. Primary Radical Steps and Products
Robert Zona, Sonja Solar, Knud Sehested, Jerzy Holcman, and Stephen P. Mezyk
pp 6743 - 6749
Photoreactions on LaTiO2N under Visible Light Irradiation
Asako Kasahara, Kota Nukumizu, Go Hitoki, Tsuyoshi Takata, Junko N. Kondo,
Michikazu Hara, Hisayoshi Kobayashi, and Kazunari Domen
pp 6750 - 6753
An Experimental and Computational Study of the Gas-Phase Structures of Five-
Carbon Monosaccharides
Leonard P. Guler, Ying-Qing Yu, and Hilkka I. Kentt?maa
pp 6754 6764
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Insertion of the Al Atom into the NH3 Molecule: Semiempirical SCF MO and Matrix
Isolation ESR Study
Paul H. Kasai and Hans-J?rg Himmel
pp 6765 - 6774
Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT
Studies
Oleg Lukin and Jerzy Leszczynski
pp 6775 6782
Hydration Structure and Water Exchange Reaction of Nickel(II) Ion: Classical and
QM/MM Simulations
Yasuhiro Inada, Ahmed M. Mohammed, Hannes H. Loeffler, and Bernd M. Rode
pp 6783 6791
Ab Initio Studies on the Thermal Dissociation Channels of cis- and trans-
Azomethane
Nicole W. C. Hon, Zhi-Da Chen, and Zhi-Feng Liu
pp 6792 - 6801
Reaction Mechanism of Chlorosiloxane Ring Formation from SiCl4 and O2
Anil Kumar, Thorsten Homann, and Karl Jug
pp 6802 - 6809
Transferable Scaling Factors for Vibrational Force Fields of Halogenated
Molecules Based on Energy-Consistent Pseudopotentials
Detlev Figgen, Bernhard Metz, Hermann Stoll, and Guntram Rauhut
pp 6810 - 6816
Insights into the Nature of SiH4-BH3 Complex: Theoretical Investigation of New
Mechanistic Pathways Involving SiH3 and BH4 Radicals
Shaowen Hu, Jongseob Kim, P. Tarakeshwar, and Kwang S. Kim
pp 6817 6822
Reduced Radical Characteristics of 7-Aminocoumarin Dyes Studied by Pulse
Radiolysis Technique
Sanjukta Nad and Haridas Pal
pp 6823 - 6831
Theoretical Study of the CH···X- Interaction of Fluoromethanes and
Chloromethanes with Fluoride, Chloride, and Hydroxide Anions
Eugene S. Kryachko and Th?r?se Zeegers-Huyskens
pp 6832 6838
Ab Initio Study of Structure and Spectra of MnH2, MnH2-, and MnH3
Nikolai B. Balabanov and James E. Boggs
pp 6839 - 6843
Comparison of Multireference Mller-Plesset Theory and Time-Dependent Methods for
the Calculation of Vertical Excitation Energies of Molecules
Maja Parac and Stefan Grimme
pp 6844 - 6850
Theoretical Study of the Interaction of NO2 Molecule with a Metal-Zeolite Model
(Metal = Cu, Ag, Au)
Anibal Sierraalta, Rafael A?ez, and Marcos-Rosas Brussin
pp 6851 - 6856
Potential Energy Surface and Vibrational Predissociation Dynamics of I2(B)-Ne
A. Garc?a-Vela
pp 6857 - 6863
Structures and Reactions of P2N2: A Hybrid of Elemental N2 and P4?
Ohyun Kwon, Philip M. Almond, and Michael L. McKee
pp 6864 6870
Quantitative Characterization of the Local Electrophilicity of Organic
Molecules. Understanding the Regioselectivity on Diels-Alder Reactions
Luis R. Domingo, M. Jos? Aurell, Patricia P?rez, and Renato Contreras
pp 6871 - 6875
Structures, Energies, and NMR Shieldings of Some Small Water Clusters on the
Counterpoise Corrected Potential Energy Surface
D. B. Chesnut
pp 6876 - 6879
Dissociation Barriers for Odd-Numbered Acyclic Nitrogen Molecules N9 and N11
Marlyn D. Thompson, Telia M. Bledson, and Douglas L. Strout
pp 6880 - 6882
Counterpoise Corrected Ion/Molecule Complexes Using Two or Three Fragments
Pedro Salvador, Miquel Duran, and J. J. Dannenberg
pp 6883 6889
Local Spin III: Wave Function Analysis along a Reaction Coordinate, H Atom
Abstraction, and Addition Processes of Benzyne
Aurora E. Clark and Ernest R. Davidson
pp 6890 - 6896
GENERAL PHYSICAL CHEMISTRY
Charge Density Studies of Weak Interactions in Dipicrylamine
Krzysztof Woniak, Paul R. Mallinson, Chick C. Wilson, Eric Hovestreydt, and
Eugeniusz Grech
pp 6897 - 6903
COMMENTS
"Phantom Activation Volumes" Are Indeed Real Activation Volumes
Christian F. Weber and Rudi van Eldik
pp 6904 - 6908
Reply to "'Phantom Activation Volumes' Are Indeed Real Activation Volumes"
Raymond A. Firestone and Kevin A. Swiss
pp 6909 - 6910