The Journal of Physical Chemistry A, 2002, V 106, N 9, 7 March.

ARTICLES 

DYNAMICS AND RELAXATION 
1647-1653 
Photolysis of Triiodide Studied by Femtosecond Pump-Probe Spectroscopy with 
Emission Detection Peter Gilch, Ingmar Hartl, Qingrui An, and Wolfgang Zinth 

1654-1660 
Ring-Opening and -Closure Reaction Dynamics of a Photochromic Dithienylethene 
Derivative Jan Ern, Arthur T. Bens, Hans-Dieter Martin, Karla Kuldova, H. Peter 
Trommsdorff, and Carola Kryschi 
1661-1669 
Multitask Molecular Springs: Collective Helical Vibrations of R2Sn (R = H, C6H5, 
C2H3, CCl3)-A Quantum Mechanical Study George V. Papamokos and Ioannis N. Demetropoulos 

1670-1677 
Visible and Near-Infrared Luminescence of Lanthanide-Containing Dimetallic 
Triple-Stranded Helicates: Energy Transfer Mechanisms in the SmIII and YbIII 
Molecular Edifices Fabiana R. Goncalves e Silva, Oscar L. Malta, 
Christine Reinhard, Hans-Ulrich Gudel, Claude Piguet, Jacques E. Moser, and 
Jean-Claude G. Bunzli 

1678-1685 
Electron Transfer Quenching and Electrochemiluminescence Comparative Studies of 
the Systems Containing N-Methylpyridinium Cations and Ru(2,2'-bipyridine)32+ or 
Ru(1,10-phenathroline)32+ Complexes Andrzej Kapturkiewicz and Pawel Szrebowaty , 
Gonzalo Angulo and Gunter Grampp 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
1686-1694 
Chiral Discrimination of Camphorquinone Enantiomers by Cyclodextrins: A 
Spectroscopic and Photophysical Study Pietro Bortolus, Giancarlo Marconi,
and Sandra Monti , Bernd Mayer 

1695-1700 
Small Clusters of Water Adsorbed on the Bilayer-Terminated Ice Surface: Infrared 
Reflection Adsorption Spectra and Quantum Chemical Calculations Alexander 
Pelmenschikov and Hirohito Ogasawara 

1701-1707 
Use of Isosbestic Points for Determination of Quantum Efficiency in Transient 
Absorption Spectroscopy Yanong Han and Lee H. Spangler 

1708-1713 
Preferential Solvation of Coumarin 153-The Role of Hydrogen Bonding 
Robert Krolicki and Wodzimierz Jarzba , Mehran Mostafavi and Isabelle Lampre 

1714-1726 
Collision-Induced Dissociation by Helium: A Piecewise Construction of the Cross 
Section L. Poisson, P. de Pujo, V. Brenner, A.-L. Derepas, J.-P. Dognon, and J.-
M. Mestdagh 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
1727-1732 
Femtosecond Probing of a 2c/3e Disulfide Bond Making in Liquid Phase 
Y. Gauduel, T. Launay, and A. Hallou 

1733-1738 
A Computational Study of the Reaction of Methyl Formate with ·H and ·CH3 
Radicals David A. Good and Joseph S. Francisco 

1739-1745 
Chlorination Chemistry. 3. Ab Initio Study of the Reaction of Chlorine Atom with 
Allene Jeffrey W. Hudgens and Carlos Gonzalez 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 

1746-1764 
Theoretical Study on Mechanism of the 3CH2 + N2O Reaction 
Jian-jun Liu, Yi-hong Ding, Ji-kang Feng, Yu-guo Tao, and Chia-chung Sun 

1765-1769 
Structures, Potential Energy Curves, and Torsional Barrier Heights for Selected 
Polychlorinated Biphenyls: A Density Functional Theory Study 
Sundaram Arulmozhiraja, P. Christopher Selvin, and Toshihiro Fujii 

1770-1783 
A Quantum Mechanical Investigation of the Relation between Impact Sensitivity 
and the Charge Distribution in Energetic Molecules 
Betsy M. Rice and Jennifer J. Hare 

1784-1789 
Red- versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions? 
Steve Scheiner and Tapas Kar 

1790-1796 
Intermolecular Potentials for Ammonia-Aqueous Mixture 
J. Rzepkowska , N. Uras , J. Sadlej , V. Buch 

1797-1801 
Modeling C5H5 with Atoms or Effective Group Potential in Lanthanide Complexes: 
Isolobality Not the Determining Factor Laurent Maron and Odile Eisenstein , 
Fabienne Alary and Romuald Poteau 

1802-1814 
Computational Modeling for Scanning Tunneling Microscopy of Physisorbed 
Molecules via Ab Initio Quantum Chemistry 
Joseph Crystal, Linda Yu Zhang, Richard A. Friesner, and George W. Flynn 
1815-1823 

The Infrared and Raman Spectra of Fullerene C70. DFT Calculations and 
Correlation with C60 Vincenzo Schettino, Marco Pagliai, and Gianni Cardini 

1824-1833 
Core Ionization Energies, Mean Dipole Moment Derivatives, and Simple Potential 
Models for B, N, O, F, P, Cl, and Br Atoms in Molecules Roberto L. A. Haiduke, 
Anselmo E. de Oliveira, and Roy E. Bruns 

1834-1849 
Nonlinear Free Energy Relations for Adiabatic Proton Transfer Reactions in a 
Polar Environment. I. Fixed Proton Donor-Acceptor Separation Philip M. Kiefer 
and James T. Hynes 

1850-1861 
Nonlinear Free Energy Relations for Adiabatic Proton Transfer Reactions in a 
Polar Environment. II. Inclusion of the Hydrogen Bond Vibration 
Philip M. Kiefer and James T. Hynes 

1862-1871 
Solvent Effects on Hydrogen Bonds-A Theoretical Study Adelia J. A. Aquino, 
Daniel Tunega, Georg Haberhauer, Martin H. Gerzabek, and Hans Lischka 

1872-1876 
Possible Reaction Pathway of HN3 + N5+ and Stability of the Products' Isomers 
Li Jie Wang, Qian Shu Li, Peter Warburton, and Paul G. Mezey 

1877-1884 
The Reaction of CH2 (X3B1) with O2 (X3): A Theoretical CASSCF/CASPT2 
Investigation B.-Z. Chen, J. M. Anglada, M.-B. Huang, and F. Kong