The Journal of Physical Chemistry A, 2001, V 105, N 43, 1 November.

LETTERS 

9813-9818 
A Combined Crossed Molecular Beam and ab Initio Study of the Reactions C2(Xg+, 
a3u) + C2H4 n-C4H3(XA') + H(2S1/2) 
Nadia Balucani, Alexander M. Mebel, Yuan T. Lee, and Ralf I. Kaiser 

ARTICLES 

DYNAMICS AND RELAXATION 

9819-9826 
Femtosecond UV Pump/Near-IR Probe Studies of the Solvent-Dependent Excited-State 
Decay Dynamics of Chlorine Dioxide 
Sophia C. Hayes, Catherine C. Cooksey, Paul M. Wallace, and Philip J. Reid 

9827-9833 
Translational Diffusion of Dilute Aqueous Solutions of Sugars as Probed by NMR 
and Hydrodynamic Theory 
Celine Monteiro and Catherine Herve du Penhoat 

9834-9844 
Influence of Collision Energy on the Nascent OH(X2, v' ' = 0-4) Product 
Energetics for the Reaction of O(1D) with Ethane. A Laser-Induced Fluorescence 
and Quasiclassical Trajectory Study 
Miguel Gonzalez, Maria P. Puyuelo, Jordi Hernando, R. Sayos, Pedro A. Enriquez, 
and Javier Guallar 

9845-9850 
Triplet State Dissociation of C120, the Dimer of C60 
Sergei M. Bachilo, Angelo F. Benedetto, and R. Bruce Weisman 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 

9851-9858 
A Novel Technique for the Measurement of Polarization-Specific Ultrafast Raman 
Responses S. Constantine, J. A. Gardecki, Y. Zhou, and L. D. Ziegler , Xingdong Ji and Brian Space 

9859-9864 
Investigation of Conformationally Rich Molecules: Rotational Spectra of Fifteen 
Conformational Isomers of 1-Octene 
G. T. Fraser, R. D. Suenram, and C. L. Lugez 

9865-9868 
Study of Molecular Complex Formation between [60]Fullerene and Two Series of 
Donors by the NMR Method 
Sumanta Bhattacharya, Sandip K. Nayak, Subrata Chattopadhyay, Manas Banerjee, 
and Asok K. Mukherjee 

9869-9872 
Study of the Rotational Barrier in the Hindered Bisphenoxyl A Radical
Christine M. R. Clancy and Malcolm D. E. Forbes 

9873-9882 
Theoretical Study on the Nonadiabatic Transitions in the Photodissociation Processes of Cl2 
Yukako Asano and Satoshi Yabushita 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 

9883-9892 
Periodic Trends in the Binding of Metal Ions to Pyrimidine Studied by Threshold 
Collision-Induced Dissociation and Density Functional Theory 
R. Amunugama and M. T. Rodgers 

9893-9900 
Reaction of Carbon Atoms, C (2p2,3P), with Hydrogen Sulfide, H2S (XA1): Overall 
Rate Constant and Product Channels 
Nicolas Galland, Francoise Caralp, Marie-Therese Rayez, Yacine Hannachi,
Jean-Christophe Loison, Gerard Dorthe, and Astrid Bergeat 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 

9901-9911 
Theoretical Study on the Mechanism of the 1CHF + NO Reaction 
Jian-jun Liu, Yi-hong Ding, Ji-kang Feng, and Chia-chung Sun 

9912-9916 
Density Functional Computational Thermochemistry: Isomerization of Sulfine and 
Its Enthalpy of Formation 
Oscar N. Ventura, Martina Kieninger, and Pablo A. Denis , Raul E. Cachau 

9917-9925 
The Reaction of N(4S) with CH2F: A Comparative ab Initio and DFT Study 
Bibiana Menendez, Victor M. Rayon, Jose A. Sordo, Alvaro Cimas, Carmen 
Barrientos, and Antonio Largo 

9926-9930 
Molecular Magnetizabilities: Zero-Point Vibrational Effects and the Breakdown of 
Pascal's Rule 
Kenneth Ruud , Per-Olof Astrand , Peter R. Taylor 

9931-9938 
An Improved Theoretical Sodium Cation Affinity Scale? 
Simon Petrie 

9939-9944 
Magnetic-Shielding Calculations on Al42- and Analogues. A New Family of Aromatic Molecules? 
Jonas Juselius, Michal Straka, and Dage Sundholm 

9945-9953 
Dual-Level Direct Dynamics Study on the Diels-Alder Reaction of Ethylene and 1,3-Butadiene 
Chun-Huei Huang, Li-Chao Tsai, and Wei-Ping Hu 

9954-9960 
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K 
Pekka Mark and Lennart Nilsson 

9961-9971 
Anisotropic Repulsion Potentials for Cyanuric Chloride (C3N3Cl3) and Their 
Application to Modeling the Crystal Structures of Azaaromatic Chlorides 
John B. O. Mitchell and Sarah L. Price , Maurice Leslie , David Buttar ,
Ron J. Roberts 

9972-9982 
Associations of Alkyl Carbonates: Intermolecular C-H···O Interactions 
Yixuan Wang and Perla B. Balbuena 

9983-9989 
Hydrogen-Bonded Pyridine-Water Complexes Studied by Density Functional Theory and Raman Spectroscopy 
S. Schlucker, Ranjan K. Singh, B. P. Asthana, J. Popp, and W. Kiefer 

COMMENTS 

9990-9992 
Comment on "Structural and Vibrational Assignment of p-Methoxyphenethylamine 
Conformers" Evan G. Robertson, John P. Simons, and Michel Mons 

9993-9994 
Reply to the Comment on "Structural and Vibrational Assignment of
p-Methoxyphenethylamine Conformers" Jose A. Fernandez, Inigo Unamuno, and Fernando Castano