LETTERS
2527-2530 Dynamics of the Charge-Transfer-to-Solvent States in I-(Xe)n Clusters Martin T. Zanni, Christian Frischkorn, Alison V. Davis, and Daniel M. Neumark
FEATURE ARTICLE
2531-2541 Aspects of Photoinduced Molecular Three-Body Decay Christof Maul and Karl-Heinz Gericke
ARTICLES
DYNAMICS AND RELAXATION 2542-2551 Twisted Intramolecular Charge Transfer of 2-(4'-N,N-Dimethylaminophenyl)pyrido[3,4-d]imidazole in Cyclodextrins: Effect of pH G. Krishnamoorthy and S. K. Dogra 2552-2561 Femtosecond Dynamics of the Methane-Methanol and Benzene-Phenol Conversions by an Iron-Oxo Species Kazunari Yoshizawa, Yoshihito Shiota, Yoshihisa Kagawa, and Tokio Yamabe 2562-2566 Infrared and ab Initio Study of the Chloride-Ammonia Anion Complex P. S. Weiser, D. A. Wild, P. P. Wolynec, and E. J. Bieske 2567-2572 Collisional Energy Transfer of NO D 2+ (v' = 0) and A 2 + (v' = 4) by O2, N2, Ar, and NO Jorge Luque and David R. Crosley 2573-2580 Oxygen Diffusion in Glassy Polymer Films: Effects of Other Gases and Changes in Pressure Lars Poulsen and Peter R. Ogilby 2581-2586 Matrix Effect on Hydrogen Atom Tunneling: Comparison between Hydrogen Addition and Abstraction Tsuneki Ichikawa, Takeshi Takahashi, Hitoshi Koizumi, and Tomoya Takada 2587-2590 13C-Selective Infrared Multiple Photon Decomposition of -Propiolactone, -Butyrolactone, and Diketene with a CO2 TEA Laser Kyoko Sugita, Yoshiki Miyamoto, and Shigeyoshi Arai , Shizuma Kuribayashi , Tetsuro Majima , Shunzo Yamamoto
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 2591-2598 Guest Molecular Motion of [N(CH3)4][Cd3(CN)7] Benzene, Toluene, and Ethylbenzene Clathrates As Studied by 2H NMR Shin-ichi Nishikiori , Takafumi Kitazawa , Chong-Hyeak Kim , Toschitake 2599-2612 Experimental and Theoretical Analysis of the Vibrational Spectra and Theoretical Study of the Structures of 3,6-Dichloropyridazine and 3,4,5-Trichloropyridazine J. Vázquez, J. J. López González, F. Márquez, G. Pongor, and James E. Boggs 2613-2617 Ab Initio Study of Peroxyacetic Nitric Anhydride and Peroxyacetyl Radical: Characteristic Infrared Band of Peroxyacetyl Radical Byung Jin Mhin and Won Young Chang , Jin Yong Lee and Kwang S. Kim 2618-2625 Reactions of Laser-Ablated Cu with NO: Infrared Spectra and Density Functional Calculations of CuNO+, CuNO, Cu(NO)2, and Cu(NO)2- in Solid Neon and Argon Mingfei Zhou and Lester Andrews 2626-2633 A Spectroscopic Study of Solvent Reorganization Energy: Dependence on Temperature, Charge Transfer Distance, and the Type of Solute-Solvent Interactions Peter Vath and Matthew B. Zimmt 2634-2640 Quadricyclane Radical Cation Q+: Formation and Isomerization in Liquid Methylcyclohexane Rolf E. Bühler and Murat A. Quadir 2641-2647 Cationization Effect on the Molecular Weight Distribution of an Ethoxylated Polymer: A Combined Theoretical and Time-of-Flight Secondary Ion Mass Spectroscopic Study Hansong Cheng, Paula A. Cornelio Clark, and Scott D. Hanton , Paul KungKINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 2648-2654 Experimental Verification of Theoretically Calculated Transition Barriers of the Reactions in a Gaseous Selective Oxidation of CH4-O2-NO2 Kenji Tabata, Yonghong Teng, Yoichi Yamaguchi, Hiroaki Sakurai, and Eiji Suzuki 2655-2662 Heterogeneous Interactions of NO2 with Aqueous Surfaces J. L. Cheung, Y. Q. Li, J. Boniface, Q. Shi, and P. Davidovits , D. R. Worsnop, J. T. Jayne, and C. E. Kolb 2663-2667 Unusual Temperature Dependence of Excited State Proton Transfer Rates in Alcohols Boiko Cohen and Dan Huppert 2668-2680 Models for Quantum Effects in Electron Transfer: Co(Cp)2+ V(CO)6- Kenneth G. Spears and Hairong Shang 2681-2688 Dynamics of Argon Collisions with Water Ice: Molecular Beam Experiments and Molecular Dynamics Simulations Patrik U. Andersson, Mats B. Någård, Kim Bolton,, Marcus Svanberg, and Jan B. C. Pettersson, 2689-2694 Random Chiral Asymmetry Generation by Chiral Autocatalysis in a Far-from-Equilibrium Reaction System Kouichi Asakura, Akihito Ikumo, Kazuyuki Kurihara, and Shuichi Osanai , Dilip K. Kondepudi [Full Article - PDF] 2695-2705 Rate Coefficients for Reaction of OH with Acetone between 202 and 395 K M. Wollenhaupt, S. A. Carl, A. Horowitz, and J. N. Crowley 2706-2709 Reactions of H3O+(H2O)n with Formaldehyde and Acetaldehyde Anthony J. Midey, Susan T. Arnold, and A. A. Viggiano 2710-2715 EPR Kinetic Evidence for Radical Intermediacy in the Oxidation of Secondary Amines to Nitrones by [Wo(O2)2OCOC5H4N]-[Bu4N+] F. P. Ballistreri, R. Bianchini, C. Pinzino, G. A. Tomaselli, and R. M. ToscanoMOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 2716-2723 Local Structure of Phosphate/Amine Polyion Complexes in Phospholipid/Polypeptide Mixtures by Solid State NMR and ab Initio Chemical Shielding Calculation Naoki Asakawa, Daisuke Sato, Minoru Sakurai, and Yoshio Inoue 2724-2728 A First-Principles Study of the Structure and Dynamics of C8H8, Si8H8, and Ge8H8 Molecules Ç. Kiliç, T. Yildirim, H. Mehrez, and S. Ciraci 2729-2733 Ab Initio Calculations on Reactions of CHF3 with Its Fragments Yasuharu Okamoto and Mutsumi Tomonari 2734-2745 Structures, Vibrational Frequencies, and Normal Modes of Substituted Azo Dyes: Infrared, Raman, and Density Functional Calculations Nandita Biswas and Siva Umapathy 2746-2751 Generalized Simulated Annealing Studies on Structures and Properties of Nin (n = 2-55) Clusters Y. Xiang, D. Y. Sun, and X. G. Gong 2752-2763 Linear Free Energy Relationships for Polyhalogenated Alkane Transformation by Electron-Transfer Mediators in Model Aqueous Systems Judith A. Perlinger and Raghuraman Venkatapathy , James F. Harrison 2764-2771 Ab initio Based Configuration Interaction Study of the Electronic States of InP Biswabrata Manna, Antara Dutta, and Kalyan Kumar Das 2772-2779 Anharmonic Vibrational Spectroscopy of Hydrogen-Bonded Systems Directly Computed from ab Initio Potential Surfaces: (H2O)n, n = 2, 3; Cl-(H2O)n, n = 1, 2; H+(H2O)n, n = 1, 2; H2O-CH3OH Galina M. Chaban, Joon O. Jung, and R. Benny Gerber 2780-2787 -Substituted Vinyl Cations: Stabilities and Electronic Properties Kaj van Alem and Gerrit Lodder , Han Zuilhof 2788-2792 Ab Initio Calculations of Spin-Spin Coupling Constants in Anhydrodeoxythymidines Jií Czernek, Jan Lang, and Vladimír Sklená 2793-2798 Catalytic Reactions of Living Polymers: Density Functional Study of Reactivity of Phenol and Phenoxides with the Cyclic Tetramer of Polycarbonate P. Ballone, B. Montanari, and R. O. Jones 2799-2807 Theoretical Study of the Microsolvation of the Bromide Anion in Water, Methanol, and Acetonitrile: Ion-Solvent vs Solvent-Solvent Interactions Regla Ayala, José M. Martínez, Rafael R. Pappalardo, and Enrique Sánchez Marcos 2808-2823 2,2'-Bithiophene Radical Cation: An Experimental and Computational Study Tamás Keszthelyi, Mette M.-L. Grage, Jesper F. Offersgaard, and Robert Wilbrandt , Christian Svendsen and O. Sonnich Mortensen , Jesper K. Pedersen and Hans Jrgen Aa. JensenGENERAL PHYSICAL CHEMISTRY 2824-2833 Revised and Expanded Scale of Gas-Phase Lithium Cation Basicities. An Experimental and Theoretical Study Peeter Burk, Ilmar A. Koppel, Ivar Koppel, Riho Kurg, Jean-Francois Gal, Pierre-Charles Maria, Marta Herreros, Rafael Notario, Jose-Luis M. Abboud, Frederick Anvia, and Robert W. Taft 2834-2844 A Monte Carlo Study of Precision, Bias, Inconsistency, and Non-Gaussian Distributions in Nonlinear Least Squares Joel Tellinghuisen 2845-2858 Infrared Titration of Aqueous Sulfuric Acid Jean-Joseph Max, Christophe Ménichelli, and Camille Chapados 2859-2864 Ion Yields for Tetramethylgermane Exposed to X-Rays near the Ge K-Edge Richard A. Holroyd and Jack M. Preses , T. K. Sham