LETTERS
6055-6059 Semiclassical Tunneling Rates from Ab Initio Molecular Dynamics M. Ben-Nun and Todd J. Martínez 6060-6062 Experimental Evidence for a Selection Rule of Intersystem Crossing to the Excited Quartet States: Metallophthalocyanines Coordinated by 4-Amino-TEMPO Kazuyuki Ishii, Takeo Ishizaki, and Nagao Kobayashi
ARTICLES
DYNAMICS AND RELAXATION 6063-6073 Ionization and Emission Spectra of the Photofragments of Allene Excited at 193 nm Jia-lin Chang, Gi-chen Tseng, Chi-Kung Ni,Jiahn-Dar Huang, and Yit-Tsong Chen 6074-6081 Structural Study of Aryl Selenides in Solution Based on 77Se NMR Chemical Shifts: Application of the GIAO Magnetic Shielding Tensor of the 77Se Nucleus Warô Nakanishi and Satoko Hayashi 6082-6090 Singlet-Singlet and Triplet-Triplet Energy Transfer in Bichromophoric Peptides W. G. McGimpsey, L. Chen, R. Carraway, and W. N. Samaniego 6091-6096 The Mechanism of the Collision-Induced Enhancement of the ag X3g- and b1g+ a1g Radiative Transitions of O2 Markus Hild and Reinhard Schmidt 6097-6105 Electron Transfer Reaction from Triplet 1,4-Dimethoxybenzene to Hydronium Ion in Aqueous Solution So Tajima, Seiji Tobita, and Haruo Shizuka 6106-6113 Photoelectron and Photofragment Velocity Imaging Following the Excitation of CH3I to the A-Band Using fs, ps, and ns Laser Pulses Peter C. Samartzis, Bernard L. G. Bakker, David H. Parker, and Theofanis N. Kitsopoulos 6114-6121 Dielectric Relaxation of H-Bonded Liquids. Mixtures of Ethanol and n-Hexanol at Different Compositions and Temperatures P. Petong, R. Pottel, and U. Kaatze
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 6122-6126 Chemical Hardness as a Possible Diagnostic of the Chaotic Dynamics of Rydberg Atoms in an External Field P. K. Chattaraj and S. Sengupta 6127-6133 Anomalous Intensities in Zero-Kinetic-Energy Spectra William A. Chupka, Edward R. Grant 6134-6141 Theoretical Studies of Structures and Ionization Threshold Energies of Water Cluster Complexes with a Group 1 Metal, M(H2O)n (M = Li and Na) Takeshi Tsurusawa and Suehiro Iwata 6142-6150 Conformational Stability from Temperature-Dependent FT-IR Spectra of Liquid Rare Gas Solutions, Barriers To Internal Rotation, Vibrational Assignment, and Ab Initio Calculations for 3-Chloropropene J. R. Durig and D. T. Durig, B. J. van der Veken and W. A. Herrebout 6151-6161 Emission Spectroscopic Studies of Plasma-Induced NO Decomposition and Water Splitting Jian Luo, Steven L. Suib, Yuji Hayashi, and Hiroshige Matsumoto 6162-6166 Two-Color Resonant Four-Wave Mixing Spectra of the C2+-X2(1-1) Band of CH in a Flame Xinghua Li, Awadhesh Kumar, Chih-Chang Hsiao, and Yuan-Pern Lee 6167-6172 An Experimental Study of the Low-Lying Electronic States of WO2 Gustavo E. Davico, Rebecca L. Schwartz, Tanya M. Ramond, and W. Carl Lineberger
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 6173-6180 Kinetic Studies of the Reactions of IO Radicals Determined by Cavity Ring-Down Spectroscopy Dean B. Atkinson and Jeffrey W. Hudgens, Andrew J. Orr-Ewing 6181-6183 Enhancement of Internal Signal Stochastic Resonance by Noise Modulation in the CSTR System Zhonghuai Hou and Houwen Xin 6184-6190 Transmission FT-IR and Knudsen Cell Study of the Heterogeneous Reactivity of Gaseous Nitrogen Dioxide on Mineral Oxide Particles G. M. Underwood, T. M. Miller, and V. H. Grassian
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 6191-6199 Ab Initio Study of the Reactions between a Series of Substituted Singlet Nitrenium Ions and Water Manuel Marquez, Frank Marí, and Carlos A. Gonzalez 6200-6208 Dimerization of Formamide in Gas Phase and Solution. An Ab Initio MC-MST Study Carles Colominas, F. Javier Luque, and Modesto Orozco 6209-6213 Evidence for Electron Density Features That Accompany the Noble Gases Solidification Roland Boese, Dieter Bläser, and Oliver Heinemann, Yuri Abramov and Vladimir Tsirelson, Peter Blaha and Karlheinz Schwarz 6214-6219 Investigations of the Chemical Bonding in the P4O6Sm (m = 0-4) Series by Combination of Experimental and Theoretical Vibrational Analysis A. R. S. Valentim, B. Engels, and S. D. Peyerimhoff 6220-6224 Singlet-Triplet Gap in -n-Dehydrotoluene and Related Biradicals: An ab Initio Configuration Interaction Study J. Cabrero, N. Ben-Amor, and R. Caballol 6225-6233 Are Semiclassical Methods Accurate for Electronically Nonadiabatic Transitions between Weakly Coupled Potential Energy Surfaces? Yuri L. Volobuev, Michael D. Hack, and Donald G. Truhlar 6234-6239 Quantum Chemical Study of the Bimolecular Complex of HONO Robert Wieczorek and Zdzislaw Latajka, Jan Lundell 6240-6250 CCD Charge Density Study on Crystals with Large Unit Cell Parameters: The Case of Hexagonal L-Cystine S. Dahaoui, V. Pichon-Pesme, J. A. K. Howard, and C. Lecomte 6251-6256 DNA Mutations Induced by Proton and Charge Transfer in the Low-Lying Excited Singlet Electronic States of the DNA Base Pairs: A Theoretical Insight Víctor Guallar, Abderrazzak Douhal, Miquel Moreno, and José M. Lluch 6257-6262 Ground and Excited State Intramolecular Proton Transfer in Salicylic Acid: an Ab Initio Electronic Structure Investigation Shruti Maheshwari, Arindam Chowdhury, and Narayanasami Sathyamurthy, Hirdyesh Mishra and H. B. Tripathi, Manoranjan Panda and Jayaraman Chandrasekhar 6263-6267 A Series of Multicolor Electrochromic Ruthenium(II) Trisbipyridine Complexes: Synthesis and Electrochemistry François Pichot, Jeffrey H. Beck, and C. Michael Elliott
GENERAL PHYSICAL CHEMISTRY 6268-6281 Modeling Nucleobase Radicals in the Gas Phase. Experimental and Computational Study of 2-Hydroxypyridinium and 2-(1H)Pyridone Radicals Jill K. Wolken and Frantiek Turecek
ADDITIONS AND CORRECTIONS 6282-6282 Density Functional Theory Analysis of Electronic Structure Variations across the Orthoquinone/Semiquinone/Catechol Redox Series Daniel E. Wheeler, Jorge H. Rodriguez, and James K.McCusker