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