Journal of Physical Chemistry A, 1999, V 103, N 36, 9 Sept.


LETTERS

7139-7141 Photorearrangement in a Semiquinone to Yield an Unusual 1,3-Carbon/Carbon Interaction and Spin Delocalization Yong Seol Kim and Cheryl D. Stevenson
FEATURE ARTICLE

7142-7154 Collisions and Chemistry of Super-Excited Molecules: Experiments Using the PUMP-DUMP-PROBE Technique Marcel Drabbels, Alec M. Wodtke
ARTICLES

DYNAMICS AND RELAXATION
7155-7160 Triplet Properties and Photoinduced Electron-Transfer Reactions of C120, the [2+2] Dimer of Fullerene C60 Mamoru Fujitsuka, Chuping Luo, and Osamu Ito, Yasujiro Murata and Koichi Komatsu 7161-7169 Superexchange and Dipole-Dipole Energy Transfer from the [Cr(ox)3]3- of 3D Oxalate Networks to Encapsulated [Cr(bpy)3]3+ Vaughan S. Langford, Marianne E. von Arx, and Andreas Hauser
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
7170-7178 Penning Ionization of NCCN by Experiment and Theory: A Two-Dimensional Penning Ionization Electron Spectroscopic and Quantum Chemical Study Tibor Pasinszki, Naoki Kishimoto, Tetsuji Ogawa, and Koichi Ohno 7179-7185 Influence of Large Magnetic Fields on Fluorescence of Gaseous CS2 Excited through Several V Bands Wade N. Sisk, Nilmoni Sarkar, Shigeru Ikeda, and Hisaharu Hayashi 7186-7191 Observation of Hydrogen-Bonded Rotational Isomers of the Resorcinol·Water Complex Wolf D. Geppert, Caroline E. H. Dessent, Susanne Ullrich, and Klaus Müller-Dethlefs
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
7192-7198 An Efficient Chemical Kinetics Solver Using High Dimensional Model Representation Jeffrey A. Shorter and Precila C. Ip, Herschel A. Rabitz 7199-7209 Kinetics and Products of the Reactions BrO + DMS and Br + DMS at 298 K Trevor Ingham, Dieter Bauer, Rolf Sander, Paul J. Crutzen, and John N. Crowley 7210-7216 Monitoring Reaction Kinetics in Solution by Continuous-Flow Methods: The Effects of Convection and Molecular Diffusion under Laminar Flow Conditions Lars Konermann 7217-7223 Heterogeneous Reaction of NO2: Characterization of Gas-Phase and Adsorbed Products from the Reaction, 2NO2(g) + H2O(a) HONO(g) + HNO3(a) on Hydrated Silica Particles A. L. Goodman, G. M. Underwood, and V. H. Grassian 7224-7229 Kinetic Role of CO2 Escape in the Oscillatory H2O2-HSO3--HCO3- Flow System Gyula Rábai, Noriaki Okazaki and Ichiro Hanazaki 7230-7235 Triplet-State Properties and Singlet Oxygen Generation in a Homologous Series of Functionalized Fullerene Derivatives Ferran Prat, Robert Stackow, Robert Bernstein, Wenyuan Qian, Yves Rubin, and Christopher S. Foote 7236-7243 On the Mechanism of Alcohol-Catalyzed Excited-State Intramolecular Proton Transfer in Cationic Benzimidazoles M. Carmen Ríos Rodríguez, J. Carlos Penedo, Robert J. Willemse, Manuel Mosquera, and Flor Rodríguez-Prieto 7244-7247 Singlet Oxygen Involvement in the Photochemical Reaction of C60 and Amines. Synthesis of an Alkyne-Containing Fullerene Robert Bernstein and Christopher S. Foote 7248-7253 Wavelength-Dependent Photolysis of i-Pentanal and t-Pentanal from 280 to 330 nm Lei Zhu, Thomas Cronin, and Amarjit Narang 7254-7267 Gas-Phase Ni+(2D5/2) + n-C4H10 Reaction Dynamics in Real Time: Experiment and Statistical Modeling Based on Density Functional Theory Margareta Blomberg, Sung Soo Yi, Robert J. Noll, and James C. Weisshaar 7268-7273 Chaotic pH Oscillations in the Hydrogen Peroxide-Thiosulfate-Sulfite Flow System Gyula Rábai, Ichiro Hanazaki 7274-7279 Temperature-Dependent Rate Constants for the Reactions of Gas-Phase Lanthanides with O2 Mark L. Campbell 7280-7286 Photochemical Reaction of Ozone and Dimethylacetylene: An Infrared Matrix Isolation and ab Initio Investigation James K. Parker and Steven R. Davis
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
7287-7293 Projected Unrestricted Hartree-Fock Calculations within the Intermediate Neglect of Differential Overlap Model Marshall G. Cory and Michael Zerner 7294-7309 The Singlet-Triplet Absorption and Photodissociation of the HOCl, HOBr, and HOI Molecules Calculated by the MCSCF Quadratic Response Method Boris F. Minaev 7310-7321 Exploration of the Mechanism of the Hydrolysis of Chlorine Nitrate i n Small Water Clusters Using Electronic Structure Methods Jonathan P. McNamara and Ian H. Hillier 7322-7340 Ab Initio Interaction Potentials for Simulations of Dimethylnitramine Solutions in Supercritical Carbon Dioxide with Cosolvents Robert Bukowski and Krzysztof Szalewic, Cary F. Chabalowski 7341-7344 First-Principles Molecular Dynamics Study of a Photochromic Molecular Crystal Irmgard Frank, Dominik Marx, and Michele Parrinello 7345-7356 Multidimensional Configuration-Space Models of the Electronic Factor in Electron Transfer by Superexchange: Implications for Models of Biological Electron Transfer M. C. Wells and R. R. Lucchese 7357-7363 A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy Paul R. Rablen, Shoshannah A. Pearlman, and John Finkbiner 7364-7372 Beryllium-9 NMR Study of Solid Bis(2,4-pentanedionato-O,O')beryllium and Theoretical Studies of 9Be Electric Field Gradient and Chemical Shielding Tensors. First Evidence for Anisotropic Beryllium Shielding David L. Bryce and Roderick E. Wasylishen 7373-7379 Thermodynamic Properties 298, S298, and Cp(T) for 2-Fluoro-2-Methylpropane, Hf298 of Fluorinated Ethanes, and Group Additivity for Fluoroalkanes Takahiro Yamada and Joseph W. Bozzelli
ADDITIONS AND CORRECTIONS
7380-7380 Self-Recombination Rate Constants for 2-Propanol and tert-Butyl Alcohol Radicals in Water. Stephen P. Mezyk and Keith P. Madden