LETTERS 2477-2480 Large Mass Independent Sulfur Isotope Fractionations during the Photopolymerization of 12CS2 and 13CS2 Peter Zmolek, Xianping Xu, Teresa Jackson, Mark H. Thiemens, and William C. Trogler
ARTICLES
DYNAMICS AND RELAXATION 2481-2488 Fluorescence of Retinal Schiff Base in Alcohols Sergei M. Bachilo , Tomas Gillbro 2489-2494 Reactivity Index Scale for Interaction of Heteroatomic Molecules with Zeolite Framework Abhijit Chatterjee, Takashi Iwasaki, and Takeo Ebina 2495-2500 Solvation Dynamics in Nonassociated Polar Solvents Ranjit Biswas and Biman Bagchi 2501-2505 Electron Localization in Polysilane Radical Ions Hiroto Tachikawa 2506-2512 Molecular Dynamics Simulations of the Solvation of Coumarin 153 in a Mixture of an Alkane and an Alcohol F. Cichos, R. Brown, U. Rempel, and C. von Borczyskowski 2513-2523 Fluorescence Quenching Kinetics of Anthracene Covalently Bound to Poly(Methacrylic Acid): Midchain Labeling John H. Clements and S. E. Webber 2524-2531 Control of the Photophysical Properties of Polyatomic Molecules by Substitution and Solvation: The Second Excited Singlet State of Azulene Nicolas Tétreault, Rajeev S. Muthyala, Robert S. H. Liu, and Ronald P. Steer
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 2532-2539 Multinuclear NMR Investigation of Al(N03)3 and Morpholine Dissolved in Water, in the Presence and Absence of HF E. W. Hansen, Ø. B. Vistad, D. E. Akporiaye, K. P. Lillerud, and R. Wendelbo 2540-2552 Multinuclear NMR Analysis of SAPO-34 Gels in the Presence and Absence of HF: The Initial Gel Ø. B. Vistad, E. W. Hansen, D. E. Akporiaye, and K. P. Lillerud 2553-2560 Infrared Spectrum of an Acidic Zeolite OH with Adsorbed Acetonitrile E. L. Meijer, R. A. van Santen, and A. P. J. Jansen 2561-2571 Cluster Ion Thermodynamic Properties: The Liquid Drop Model Revisited Gilles H. Peslherbe, Branka M. Ladanyi, and James T. Hynes 2572-2579 Multiphoton Ionization and ab Initio Calculation Studies of the Hydrogen-Bonded Clusters C4H5N-(H2O)n Yue Li, Xiang-Hong Liu, Xiu-Yan Wang, and Nan-Quan Lou 2580-2591 Ultrafast Dynamics of Transition Metal Carbonyls. 3. Intracluster Chemistry in [Cr(CO)6]n Michael Gutmann, Markus S. Dickebohm, and Jörg M. Janello 2592-2598 Vibrational Spectra and Structures of Nickel Mononitrosyl Complexes. An IR Matrix Isolation and DFT Study Lahouari Krim, Laurent Manceron, and M. Esmaïl Alikhani 2599-2605 The Mechanism of the Solvent Perturbation of the ag X3g- Radiative Transition of O2 Reinhard Schmidt, Farokh Shafii, and Markus Hild 2606-2617 Vibronic Behavior and Single-Crystal EPR Spectra of Cu(II) in Copper-Doped Diaqua(L-aspartato)zinc(II) Hydrate Marta B. Massa, Sergio D. Dalosto, M. Graciela Ferreyra,Guillermo Labadie, and Rafael Calvo 2618-2623 Photoinduced Rydberg Ionization (PIRI) Spectroscopy of the State of the Fluorobenzene Cation Richa Anand, Jeffrey E. LeClaire, and Philip M. Johnson 2624-2631 Infrared Spectra of Matrix-Isolated [OC···X2] and [CO···X2] Complexes (X = Cl, Br) and ab Initio Calculations A. Schriver, L. Schriver-Mazzuoli, P. Chaquin, and M. Bahou
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 2632-2640 Atmospheric Chemistry of Trimethoxymethane, (CH3O)3CH; Laboratory Studies J. Platz, J. Sehested, and O. J. Nielsen , T. J. Wallington 2641-2648 Genuine Pyrimidine Radical Cations Generated by Radiation-Induced Electron Transfer to Butyl Chloride or Acetone Parent Ions R. Lomoth, S. Naumov, and O. Brede 2649-2654 Rate Constants for the Reactions of Hydroxyl Radical with Several Alkanes, Cycloalkanes, and Dimethyl Ether W. B. DeMore and K. D. Bayes 2655-2658 Consideration of the Bimolecular Reaction Rates of D+(D2O)n with HCl R. S. MacTaylor, J. J. Gilligan, D. J. Moody, and A. W. Castleman, Jr. 2659-2663 Association Reactions of Manganese, Iron, and Ruthenium with Nitric Oxide Roy E. McClean, Mark L. Campbell, and Michelle D. Vorce, Laura J. Medhurst 2664-2672 Measurement of the OH Reaction Rate Constants for CF3CH2OH, CF3CF2CH2OH, and CF3CH(OH)CF3 Kazuaki Tokuhashi, Hidekazu Nagai, Akifumi Takahashi, Masahiro Kaise, Shigeo Kondo, Akira Sekiya, Mitsuru Takahashi, Yoshihiko Gotoh, and Atsuo Suga 2673-2679 Phase Transitions in Emulsified HNO3/H2O and HNO3/H2SO4/H2O Solutions Hung-Yau A. Chang, Thomas Koop, Luisa T. Molina, and Mario J. Molina 2680-2687 A Kinetic and Spectroscopic Study of the in Situ Electrochemical Promotion by Sodium of the Platinum-Catalyzed Combustion of Propene Neil C. Filkin, Mintcho S. Tikhov, Alejandra Palermo, and Richard M. Lambert 2688-2695 Atmospheric Chemistry of Cyclohexane: UV Spectra of c-C6H11 and (c-C6H11)O2 Radicals, Kinetics of the Reactions of (c-C6H11)O2 Radicals with NO and NO2, and the Fate of the Alkoxy Radical (c-C6H11)O J. Platz, J. Sehested, and O. J. Nielsen , T. J. Wallington 2696-2699 Sonochemical Degradation Rates of Volatile Solutes A. J. Colussi, Hui-Ming Hung, and Michael R. Hoffmann 2700-2704 Kinetics of the Reaction of OH Radicals with CH2ClCF2Cl and CH2ClCF3 over an Extended Temperature Range Tunchen D. Fang, Philip H. Taylor, and Rajiv J. Berry 2705-2711 Charge Transfer Interactions in the Generation of Singlet Oxygen O2(1g) by Strong Electron Donors Alexander P. Darmanyan, Woojae Lee, and William S. Jenks 2712-2719 Kinetics of the Reaction of OH with HI between 246 and 353 K P. Campuzano-Jost and J. N. Crowley 2720-2722 Kinetics for the Reactions of H3O+(H2O)n with CH3SOCH3 Joseph M. Thomas and A. A. Viggiano 2723-2733 Thermal Decomposition and Isomerization Processes of Alkyl Radicals Noboru Yamauchi, Akira Miyoshi, Keishi Kosaka, Mitsuo Koshi, and Hiroyuki Matsui 2734-2739 Kinetics and Mechanism of the Sonolytic Degradation of Chlorinated Hydrocarbons: Frequency Effects Hui-Ming Hung and Michael R. Hoffmann 2740-2743 Experimental Verification of the Through-Bond Mechanisms of Electron Transfer in Bridged Donor-Acceptor Complexes Stuart H. Pullen, Maurice D. Edington, Shannon L. Studer-Martinez, and John D. Simon, Heinz A. Staab
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 2744-2750 A DFT Study of the Water-Assisted Intramolecular Proton Transfer in the Tautomers of Adenine Jiande Gu and Jerzy Leszczynski 2751-2755 Cation Affinities of Cyclohexadepsipeptide: Ab Initio Study Chunzhi Cui and Kwang S. Kim 2756-2765 A Density Functional Study of the Acetoxylation of Ethylene to Vinyl Acetate Catalyzed by Palladium Acetate David D. Kragten and Rutger A. van Sante , Matthew Neurock, Jan J. Lerou 2766-2774 Ab Initio Calculations of Carbonyl Adsorption Complexes at Zeolitic Brönsted Sites Simulated by Model Clusters: Role of Modeling E. Kassab, H. Jessri, M. Allavena, and D. White 2775-2783 Contribution of Hydrogen Bonds to Equilibrium Transition of Resorcinol Masaki Yoshino, Kazuhiro Takahashi, Youhei Okuda,Takashi Yoshizawa, Nobuaki Fukushima, and Motosuke Naoki 2784-2792 Combined ab Initio Computational and Statistical Investigation of a Model C-H···O Hydrogen Bonded Dimer as Occurring in 1,4-Benzoquinone J. van de Bovenkamp, J. M. Matxain, and F. B. van Duijneveldt , T. Steiner 2793-2800 Ab Initio Molecular Orbital Study of XO2+ (X = F, Cl, Br, I) Systems M. Alcamí, O. Mó, and M. Yáñez , I. L. Cooper 2801-2811 A Density Functional Theory Study of the Hydrates of NH3·H2SO4 and Its Implications for the Formation of New Atmospheric Particles James C. Ianni and Alan R. Bandy 2812-2820 A Theoretical Study of the Pressure-Induced Dimerization of C60 Fullerene Alexander V. Dzyabchenko , Viatcheslav Agafonov, Valery A. Davydov 2821-2827 Torsional Potentials of Perfluoro-1,3-butadiene and Perfluoro-1,3,5-hexatriene: A Comparison of ab Initio and Density Functional Results Alfred Karpfen 2828-2835 Determination of the Electronic Structure of Oligo(2-thienyl ketones) and Extrapolation to Poly(thienylene ketone) Maurizio Dal Colle, Cristina Cova, and Giuseppe Distefano, Derek Jones, Alberto Modelli, Nicola Comisso 2836-2842 Dihydrogen Bonding in Main Group Elements: A Case Study of Complexes of LiH, BH3, and AlH3 with Third-Row Hydrides Sudhir A. Kulkarni and Alok Kumar Srivastava 2843-2850 Liquid Structures and the Infrared and Isotropic/Anisotropic Raman Noncoincidence in Liquid Methanol, a Methanol-LiCl Solution, and a Solvated Electron in Methanol: Molecular Dynamics and ab Initio Molecular Orbital Studies Hajime Torii 2851-2856 Comparison of the Structures and Vibrational Modes of Carboxybiotin and N-Carboxy-2-imidazolidone John Clarkson and Paul R. Carey 2857-2860 Quantum Chemical Calculations of the Electronic States and Fluorescence Properties of Carbazolyl- and Carbazolylmethylene-Substituted Diacetylenes G. F. Musso, M. Ottonelli, M. Alloisio, I. Moggio, D. Comoretto, C. Cuniberti, and G. Dellepiane 2861-2866 On the Magnetic Susceptibility of Fluorine H. Cheng, D. E. Fowler,P. B. Henderson, J. P. Hobbs, and M. R. Pascolini 2867-2872 Electronic Structure and Low-Lying Electronic States of Al3O and Al3O-: Photoelectron Spectrum of Al3O- Tapan K. Ghanty and Ernest R. Davidson 2873-2877 Triplet Ground State of 2,5-Dimethylene Five-Member Heterocycles Slawomir Z. Janicki and Peter A. Petillo 2878-2882 Theoretical Studies of the Electrocyclic Reaction Mechanisms of Hexatriene to Cyclohexadiene Shogo Sakai and Shin-ya Takane 2883-2890 Quantum Molecular Similarity. 1. BCP Space P. L. A. Popelier 2891-2898 Solvation and Hydrogen-Bonding Effects on Proton Wires Hélène Decornez, Karen Drukker, and Sharon Hammes-Schiffer 2899-2905 Thermal Stability of O-H and O-Alkyl Bonds in N-Alkoxyamines. A Density Functional Theory Approach P. Marsal, M. Roche, P. Tordo, and P. de Sainte Claire
ADDITIONS AND CORRECTIONS 2906-2906 Real-Time Kinetic Measurements of the Condensation and Evaporation of D2O Molecules on Ice at 140K < T < 220 K L. Chaix, H. van den Bergh, and M. J. Rossi