The Journal of Physical Chemistry A, 2002, N 6, 14 February
LETTERS
855-859
First Spectroscopic Observation of Gas-Phase HOONO
Sergey A. Nizkorodov and Paul O. Wennberg
FEATURE ARTICLE
860-877
Chemical Reactions of Nitrogen Oxides on the Surface of Oxide, Carbonate, Soot,
and Mineral Dust Particles: Implications for the Chemical Balance of the
Troposphere V. H. Grassian
ARTICLES
DYNAMICS AND RELAXATION
878-883
Measuring Intramolecular Charge Transfer via Coherent Generation of THz
Radiation Matthew C. Beard, Gordon M. Turner, and Charles A. Schmuttenmaer
884-892
Evaluation of Electronic Coupling in a Donor-Bridge-Acceptor Molecule: A
Fluorescence Polarization Anisotropy Investigation Laura F. Cooley, Hai Han,
and Matthew B. Zimmt
893-896
Orientation Dependence in C60 Surface-Impact Collisions
Qi-Heng Tang, Keith Runge, Hai-Ping Cheng, and Frank E. Harris
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
897-905
Electroabsorption Spectroscopic Studies of Dipolar Ruthenium(II) Complexes
Possessing Large Quadratic Nonlinear Optical Responses
Benjamin J. Coe, James A. Harris, and Bruce S. Brunschwig
906-910
Infrared Spectra of Size Selected Cl--(D2)n and F--(D2)n Anion Clusters
D. A. Wild, P. S. Weiser, Z. M. Loh, and E. J. Bieske
911-924
Semiclassical Assignment of the Vibrational Spectrum of N2O
Holger Waalkens , Christof Jung , Howard S. Taylor
925-932
A New Cluster Pair Method of Determining Absolute Single Ion Solvation Energies
Demonstrated in Water and Applied to Ammonia
Thomas R. Tuttle, Jr. and Syd Malaxos , James V. Coe
933-937
Energy, Enthalpy, and Volume Change of Hydrogen-Bond Formation in Large,
Charged, Water Vapor Clusters, H+(H2O)c, Determined from Mass Spectral
Distributions G. E. Walrafen , Y. C. Chu , H. R. Carlon
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
938-944
Absolute Rate Constants for Collisional Vibrational Relaxation in Dense
Vibrational Regions of S1 p-Difluorobenzene
Todd A. Stone and Charles S. Parmenter
945-951
Kinetics of the Gas-Phase Reaction of Some Unsaturated Alcohols with the Nitrate
Radical Jun Noda, Gunnar Nyman, and Sarka Langer
952-961
Density Functional Theory Study for the Cycloaddition of 1,3-Butadienes with
Dimethyl Acetylenedicarboxylate. Polar Stepwise vs Concerted Mechanisms
Luis R. Domingo, Manuel Arno, Renato Contreras, and Patricia Perez
962-972
Effects of Vibrational Frequency Correlations on Two-Dimensional Infrared
Spectra Nien-Hui Ge, Martin T. Zanni, and Robin M. Hochstrasser
973-981
Rate Constants for the Gas-Phase Reactions of Silylene with Methanol, Deuterated
Methanol, and Water Ula N. Alexander, Keith D. King, and Warren D. Lawrance
982-987
Adsorption of Atmospheric Gases at the Air-Water Interface. 4: The Influence of
Salts Evangelia Demou and D. J. Donaldson
988-996
Propagation Failure in an Array of Oregonator Cells and Irreversible
Thermodynamics of an Assembly of Discrete Systems Daniel Barragan , Byung Chan Eu
997-1003
Negative Ion Chemistry of Ozone in the Gas Phase Skip
Williams, Meghann F. Campos, Anthony J. Midey, Susan T. Arnold, Robert A.
Morris, and Albert A. Viggiano
1004-1010
Photodissociation of ClONO2 at 235 nm: Final Product Yields and Energy
Partitioning Peng Zou, Jiho Park, Bridget A. Schmitz, Trieu Nguyen, and Simon W. North
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
1011-1018
A Theoretical Investigation of Excited-State Properties of the Adenine-Uracil
Base Pair M. K. Shukla and Jerzy Leszczynski
1019-1025
On the Nature of C-Li Bonding in Lithiated Hydrocarbons and Lithiocarbons
R. Ponec and J. Roithova , X. Girones , L. Lain and A. Torre , R. Bochicchio
1026-1034
Isomerization of 2,3-Dihydrofuran and 5-Methyl-2,3-dihydrofuran: Quantum
Chemical and Kinetics Calculations Faina Dubnikova and Assa Lifshitz
1035-1045
Theoretical Study on the Structure, Stability, and Tautomerism of 2-Aza-21-
carba-23-X(thia or oxa)-Porphyrin Isomers Youngdae Joo, Kyoung K. Baeck, and Chang-Hee Lee
1046-1053
Structure of a Metal Ion Binding Site in -Lactamase: Quantum Mechanical Study of
the Influence of Hydrogen-Bonding Network and Backbone Constraints Lars Olsen,
Jens Antony, and Lars Hemmingsen , Kurt V. Mikkelsen
1054-1059
G3(MP2) Calculations of Enthalpies of Hydrogenation, Isomerization, and
Formation of [3]-Radialene and Related Compounds Donald W. Rogers and Frank J. McLafferty
1060-1066
Theoretical Investigation of 19F NMR Chemical Shielding of Alkaline-Earth-Metal
and Alkali-Metal Fluorides Shu-Hui Cai, Zhong Chen, and Hui-Lin Wan
1067-1073
Absolute Heat of Formation and Singlet-Triplet Splitting for HCCN
John C. Poutsma, Stephanie D. Upshaw, Robert R. Squires, and Paul G. Wenthold
1074-1080
A Flexible All-Atom Model of Dimethyl Sulfoxide for Molecular Dynamics
Simulations Matthew L. Strader and Scott E. Feller
1081-1087
A High-Level Theoretical Study on the Gas-Phase Identity Methyl Transfer
Reactions Ikchoon Lee, Chang Kon Kim, Chang Kook Sohn, Hong Guang Li, and Hai Whang Lee
1088-1099
Phosphorus NMR Chemical Shifts with Self-Interaction Free, Gradient-Corrected
DFT Serguei Patchkovskii and Tom Ziegler
GENERAL PHYSICAL CHEMISTRY
1100-1106
Self-Association of Formamide in Carbon Tetrachloride Solutions: An Experimental
and Quantum Chemistry Vibrational and Thermodynamic Study A. C. Gomez Marigliano
and E. L. Varetti