Journal of Physical Chemistry, 2002, V 106, N 34, August 29.
LETTERS
Raman Studies of the Solution Structure of Univalent Electrolytes in Water
Stephanie R. Dillon and Ralph C. Dougherty
pp 7647 - 7650;
Polar Solvation Dynamics in the Femtosecond Evolution of Two-Dimensional
Fourier Transform Spectra
John D. Hybl, Anchi Yu, Darcie A. Farrow, and David M. Jonas
pp 7651 - 7654;
ARTICLES
DYNAMICS AND RELAXATION
Excited-State Intramolecular Proton Transfer in 2-(2'-
Tosylaminophenyl)benzimidazole
Christoph J. Fahrni, Maged M. Henary, and Donald G. VanDerveer
pp 7655 - 7663;
Dielectric Relaxation Behavior of Glycine Betaine in Aqueous Solution
Toshiyuki Shikata
pp 7664 - 7670;
Dissipative Laser-Driven Hydrogen-Bond Dynamics in Deuterated o-Phthalic Acid
Monomethylester
O. K?hn
pp 7671 - 7679;
Twisted Intramolecular Charge Transfer States in 2-Arylbenzotriazoles:
Fluorescence Deactivation via Intramolecular Electron Transfer Rather Than
Proton Transfer
Ashok Maliakal, George Lem, Nicholas J. Turro, Ravi Ravichandran, Joseph C.
Suhadolnik, Anthony D. DeBellis, Mervin G. Wood, and Jacqueline Lau
pp 7680 - 7689;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Torsional Potential of Methyl Group in m-Tolunitrile-H2O and m-Tolunitrile-N2O
Complexes Studied by Laser-Induced Fluorescence and Hole-Burning Spectroscopies
Masao Takayanagi, Daisuke Negishi, and Yusuke Sakurai
pp 7690 - 7695;
Infrared Spectra of the Novel Si2H2 and Si2H4 Species and the SiH1,2,3
Intermediates in Solid Neon, Argon, and Deuterium
Lester Andrews and Xuefeng Wang
pp 7696 - 7702;
Hyperfine Interactions in HSiCl
Wei Lin, Stewart E. Novick, Masaru Fukushima, and Wolfgang J?ger
pp 7703 - 7706;
Conformations of 1,1-Dimethoxyethane: Matrix Isolation Infrared and ab Initio
Studies
V. Venkatesan, K. Sundararajan, and K. S. Viswanathan
pp 7707 - 7713;
Two-Dimensional Penning Ionization Electron Spectroscopy of Monobromothiophenes:
Orbital Reactivity and Anisotropic Interaction with He*(23S) Metastable Atom
Shan Xi Tian, Naoki Kishimoto, and Koichi Ohno
pp 7714 - 7721;
Infrared Action Spectroscopy and Inelastic Recoil Dynamics of the CH4-OD
Reactant Complex
Maria Tsiouris, Ilana B. Pollack, and Marsha I. Lester
pp 7722 - 7727;
Vibrational Energy Distributions of NH2(2B1) Fragments Generated in the
Photolysis of NH3 at 193 nm: Application of Kinetic Analysis on Vibrational
Cascade
Katsuyoshi Yamasaki, Akihiro Watanabe, Teruaki Kakuda, Akira Itakura, Hirofumi
Fukushima, Masami Endo, Chiho Maruyama, and Ikuo Tokue
pp 7728 - 7735;
Photophysical and Lasing Properties of New Analogs of the Boron-Dipyrromethene
Laser Dye PM567 in Liquid Solution
A. Costela, I. Garc?a-Moreno, C. Gomez, R. Sastre, F. Amat-Guerri, M. Liras,
F. L?pez Arbeloa, J. Ba?uelos Prieto, and I. L?pez Arbeloa
pp 7736 - 7742;
UV Photolysis and Thermal Annealing of H2S, HI, and H2CO in Solid Xe: Electronic
Absorption Spectra of the Products
Jussi Ahokas, Henrik Kunttu, Leonid Khriachtchev, Mika Pettersson, and Markku
R?s?nen
pp 7743 - 7747;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Rate Constant for the Reaction of Cl2(aq) with OH-
M. Gershenzon, P. Davidovits, J. T. Jayne, C. E. Kolb, and D. R. Worsnop
pp 7748 - 7754;
Wavelength-Dependent Photolysis of n-Butyraldehyde and i-Butyraldehyde in the
280-330-nm Region
Yunqing Chen, Lei Zhu, and Joseph S. Francisco
pp 7755 - 7763;
Ionization of Nitric Acid on Ice
Christopher J. Pursell, Michael A. Everest, Mary E. Falgout, and
Diana D. Sanchez
pp 7764 - 7768;
Quantum Chemistry Computation of Rate Constants for Reactions Involved in the
First Aromatic Ring Formation
Carlo Cavallotti, Renato Rota, and Sergio Carr?
pp 7769 - 7778;
Kinetics and Mechanism of the Gas-Phase Reaction of Cl Atoms and OH Radicals
with Fluorobenzene at 296 K
M. P. Sulbaek Andersen, O. J. Nielsen, M. D. Hurley, and T. J. Wallington
pp 7779 - 7787;
Gas-Phase Reactions of U+ and U2+ with O2 and H2O in a Quadrupole Ion Trap
Glen P. Jackson, Fred L. King, Douglas E. Goeringer, and Douglas C. Duckworth
pp 7788 - 7794;
Calculation of Electron Transfer Rate Constants from Emission Spectra in Re(I)
Chromophore-Quencher Complexes
Juan Pablo Claude, Kristin M. Omberg, Darryl S. Williams, and Thomas J. Meyer
pp 7795 - 7806;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Quantum/Classical Investigation of Amide Protonation in Aqueous Solution
Dirk Zahn, Karl Friedemann Schmidt, Stefan M. Kast, and J?rgen Brickmann
pp 7807 - 7812;
An Experimental Electron Density Investigation of Squarate and Croconate
Dianions Anupama Ranganathan and G. U. Kulkarni
pp 7813 - 7819;
An ab Initio Quantum Mechanical Study of Hydrogen-Bonded Complexes of
Biological Interest Niu Huang and Alexander D. MacKerell, Jr.
pp 7820 - 7827;
Interactions of Water with Mono- and Diamino Derivatives of N,N'-Dimethyluracil
Oleg V. Shishkin, Oleg S. Sukhanov, and Jerzy Leszczynski
pp 7828 - 7833;
Stereoelectronic Contributions to Long-Range 1H-1H Coupling Constants
Eduardo M. Sproviero and Gerardo Burton
pp 7834 - 7843;
The Markovnikov Regioselectivity Rule in the Light of Site Activation Models
A. Aizman, R. Contreras, M. Galv?n, A. Cedillo, J. C. Santos, and E. Chamorro
pp 7844 - 7849;
Reactions of HOCl + HCl + nH2O and HOCl + HBr + nH2O
Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, and Klaus R. Liedl
pp 7850 - 7857;
Density Functional Theory Vibrational Frequencies of Amides and Amide Dimers
Tim M. Watson and Jonathan D. Hirst
pp 7858 - 7867;
Theoretical Study on the Decomposition of N2O over Alkaline Earth Metal-Oxides:
MgO-BaO
Elly J. Karlsen, Martin A. Nygren, and Lars G. M. Pettersson
pp 7868 - 7875;
Solid-State 93Nb, 19F, and 113Cd Nuclear Magnetic Resonance Study of Niobium
Oxyfluorides: Characterization of Local Distortions and Oxygen/Fluorine Ordering
Lin-Shu Du, Robert W. Schurko, Namjun Kim, and Clare P. Grey
pp 7876 - 7886;
The Electronegativity Equalization Method I: Parametrization and Validation for
Atomic Charge Calculations
P. Bultinck, W. Langenaeker, P. Lahorte, F. De Proft, P. Geerlings,
M. Waroquier, and J. P. Tollenaere
pp 7887 - 7894;
The Electronegativity Equalization Method II: Applicability of Different Atomic
Charge Schemes
P. Bultinck, W. Langenaeker, P. Lahorte, F. De Proft, P. Geerlings, C. Van Alsenoy, and J. P. Tollenaere
pp 7895 - 7901;
Reaction Path Sampling of the Reaction between Iron(II) and Hydrogen Peroxide
in Aqueous Solution Bernd Ensing and Evert Jan Baerends
pp 7902 - 7910;
Molecular Resistance in a Molecular Diode: A Case Study of the Substituted
Phenylethynyl Oligomer
Chiranjib Majumder, Tina Briere, Hiroshi Mizuseki, and Yoshiyuki Kawazoe
pp 7911 - 7914;
Possible Photoinduced Spin Transitions in
Bis(phenylmethylenyl)[2.2]paracyclophanes. A Spin-Orbit Coupling Study
Masakazu Kondo, Yoshihito Shiota, and Kazunari Yoshizawa
pp 7915 - 7920;
On the Electronic Structure of Bis(5-cyclopentadienyl) Titanium
Mark A. Freitag and Mark S. Gordon
pp 7921 - 7926;
An Assessment of the Performance of High-Level Theoretical Procedures in the
Computation of the Heats of Formation of Small Open-Shell Molecules
David J. Henry, Christopher J. Parkinson, and Leo Radom
pp 7927 - 7936;
Thermodynamic Properties of Ketenes: Group Additivity Values from Quantum
Chemical Calculations
Raman Sumathi and William H Green, Jr.
pp 7937 - 7949;
Theoretical Study of the Quadrupolarity of Carbodiimide
Rainer Glaser, Michael Lewis, and Zhengyu Wu
pp 7950 - 7957;
GENERAL PHYSICAL CHEMISTRY
Conformational Control of Photoinduced Charge Separation within Phenothiazine-
Pyrene Dyads
Andr? Stockmann, Jana Kurzawa, Norbert Fritz, Nursel Acar, Siegfried Schneider,
J?rg Daub, Raimund Engl, and Timothy Clark
pp 7958 - 7970;
Cooperative Counterion-Polyion Interactions in Polyelectrolyte Chain Dynamics:
NMR and Quantum-Chemical Study of Locally Collapsed State in Dilute Poly(N-
diallyldimethylammonium chloride) in NaCl/D2O Solutions
J. K?, J. Dybal, and D. Kurkov?
pp 7971 - 7981;
Determination of the Gibbs Free Energy of Gas Replacement in SI Clathrate
Hydrates by Molecular Simulation
Eric M. Yezdimer, Peter T. Cummings, and Ariel A. Chialvo
pp 7982 - 7987;
H2 Elimination from Hydrated Aluminum Clusters: Acid-Base Reaction Mediated by
Intracluster Proton Transfer
Bj?rn M. Reinhard and Gereon Niedner-Schatteburg
pp 7988 - 7992;