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